Additional nitrogen Estate signatures.

cdk · Feb 1, 2019 · 7bd81f7 · 7bd81f7
1 parent 5fc2532
commit 7bd81f7
Showing 1 changed file with 4 additions and 2 deletions.
diff --git a/...lecular/src/main/java/org/openscience/cdk/qsar/descriptors/molecular/ALOGPDescriptor.java b/...lecular/src/main/java/org/openscience/cdk/qsar/descriptors/molecular/ALOGPDescriptor.java
@@ -1367,8 +1367,10 @@ private void calcGroup066_to_079(int i) {
                 frags[66]++;
                 alogpfrag[i] = 66;
             }
-            frags[50] += 2;
-        } else if (fragment[i].equals("SaaNH") || fragment[i].equals("SsaaN")) { // R...NH...R
+        } else if (fragment[i].equals("SaaNH") ||
+                   fragment[i].equals("SsaaN") ||
+                   fragment[i].equals("SaaaN") ||
+                   fragment[i].equals("SaaNm")) { // R...NH...R
             frags[73]++;
             alogpfrag[i] = 73;
         } else if (fragment[i].equals("SssNH")) {