Molecule Details
| Molecular Properties | |
| SMILES: | Nc1cncc2cccc(Cl)c12 |
| MW: | 178.03 |
| Fraction sp3: | 0.0 |
| HBA: | 2 |
| HBD: | 1 |
| Rotatable Bonds: | 0 |
| TPSA: | 38.91 |
| cLogP: | 2.47 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
aniline
EDJ-MED-32ea7ca7-1
0.407
MIC-UNK-50cce87d-2
0.338
EDJ-MED-6ab52e52-1
0.338
MIC-UNK-50cce87d-6
0.324
MIC-UNK-67d4a29a-1
0.324
MIC-UNK-50cce87d-10
0.312
EDJ-MED-e78d5f1a-1
0.282
BEN-DND-a7517465-3
0.277
EDJ-MED-305b0cb7-1
0.275
EDJ-MED-94fddcec-3
0.274
EDJ-MED-c3ea9889-8
0.271
EDJ-MED-f9b78f78-3
0.271
MAT-POS-c88128cb-15
0.267
MAT-POS-b4d6b7fc-6
0.258
MAT-POS-1d5ab790-2
0.258
MAT-POS-853c0ffa-1
0.258
MAT-POS-1d5ab790-3
0.258
RUB-POS-1325a9ea-2
0.257
MIC-UNK-50cce87d-1
0.257
MAT-POS-853c0ffa-17
0.253
MAT-POS-853c0ffa-7
0.248
MAT-POS-853c0ffa-5
0.248
MAT-POS-1d5ab790-1
0.248
MIC-UNK-51049f1a-6
0.247
MIC-UNK-50cce87d-7
0.244
EDJ-MED-ede277f6-5
0.242
EDJ-MED-0186a59b-8
0.242
EDJ-MED-c3ea9889-4
0.242
MAT-POS-666635d5-1
0.242
BEN-DND-fa51d92c-16
0.242
MIK-ENA-5d9157e9-3
0.242
MIK-ENA-5d9157e9-4
0.242
EDJ-MED-0186a59b-4
0.242
RUB-POS-1325a9ea-3
0.240
MIC-UNK-50cce87d-3
0.240
BEN-DND-fa51d92c-15
0.240
BEN-DND-fa51d92c-8
0.240
BEN-DND-f6031113-16
0.240
EDJ-MED-39aed21e-1
0.238
JOH-UNI-3fc3434e-1
0.237
JOH-UNI-ee5ed7c8-1
0.237
EDJ-MED-305b0cb7-3
0.237
BEN-DND-f6031113-8
0.237
BEN-DND-f6031113-15
0.237
MAT-POS-a334828f-1
0.237
MAT-POS-853c0ffa-3
0.237
MIC-UNK-50cce87d-11
0.235
MIC-UNK-50cce87d-4
0.234
RUB-POS-1325a9ea-9
0.234
EDJ-MED-ede277f6-9
0.232
MIC-UNK-50cce87d-5
0.232
PET-UNK-6314f867-3
0.231
MIC-UNK-51049f1a-5
0.231
MIC-UNK-67d4a29a-3
0.231
MIC-UNK-668ac5de-1
0.231
MAT-POS-81ae2990-1
0.230
JOH-UNI-ee5ed7c8-3
0.228
JOH-UNI-3fc3434e-3
0.228
MIC-UNK-67d4a29a-2
0.228
MAT-POS-81ae2990-7
0.228
MAT-POS-b4d6b7fc-8
0.228
BEN-DND-fa51d92c-2
0.228
JOH-UNI-3fc3434e-5
0.226
JOH-UNI-ee5ed7c8-5
0.226
MAT-POS-81ae2990-4
0.225
TRY-UNI-714a760b-3
0.225
TRY-UNI-714a760b-9
0.225
MIC-UNK-67d4a29a-4
0.225
EDJ-MED-c5ca5386-1
0.224
MIC-UNK-50cce87d-9
0.224
MIC-UNK-50cce87d-8
0.224
BEN-DND-f6031113-3
0.223
EDJ-MED-ede277f6-11
0.223
JOH-UNI-3fc3434e-13
0.222
JOH-UNI-ee5ed7c8-13
0.222
UNK-UNK-2ede4078-60
0.222
EDJ-MED-ede277f6-3
0.221
BEN-DND-a7517465-5
0.218
VLA-UCB-1dbca3b4-3
0.218
MAK-UNK-c749d764-32
0.218
DAR-DIA-5a24bef0-11
0.217
TRY-UNI-714a760b-15
0.216
PET-UNK-b870596d-1
0.215
JUL-TUD-06b2044f-40
0.215
MIC-UNK-50cce87d-12
0.213
MAT-POS-afd4d4fd-3
0.213
DAR-DIA-5d6f1b43-5
0.212
TRY-UNI-714a760b-8
0.212
RYA-UNI-14580791-1
0.211
MAT-POS-1f3f1a6f-1
0.211
MAT-POS-8feb6e35-1
0.210
DAR-DIA-5d6f1b43-1
0.210
PET-UNK-b870596d-2
0.210
DAR-DIA-23aa0b97-13
0.209
BEN-DND-d1eb1f41-12
0.209
EDJ-MED-f3cfbbb5-1
0.209
RAL-THA-2d450e86-36
0.208
JOH-UNI-df8adf26-1
0.208
RAL-THA-2d450e86-19
0.208
RAL-THA-2d450e86-20
0.208