Molecule Details
| Molecular Properties | |
| SMILES: | Cc1ccncc1Nc1cccc(N)n1 |
| MW: | 200.245 |
| Fraction sp3: | 0.09 |
| HBA: | 4 |
| HBD: | 2 |
| Rotatable Bonds: | 2 |
| TPSA: | 63.83 |
| cLogP: | 2.11082 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
aniline
MIH-UNI-3396182e-2
0.500
MIH-UNI-3396182e-4
0.463
MIH-UNI-3396182e-3
0.386
AAR-POS-d2a4d1df-3
0.370
MAK-UNK-6435e6c2-8
0.370
DAR-DIA-2964957d-2
0.366
IND-SYN-2c708b29-2
0.364
LON-WEI-af038623-7
0.353
JOH-UNI-abfda500-6
0.348
ANN-UNI-98d2bf15-1
0.348
MAK-UNK-6ca90168-27
0.339
EDG-MED-0da5ad92-3
0.338
WAR-XCH-bdd24732-23
0.333
MAK-UNK-6ca90168-26
0.333
PET-SGC-6e7c5dc0-1
0.328
MAT-POS-590ac91e-13
0.323
MAT-POS-590ac91e-23
0.319
ALE-HEI-f28a35b5-1
0.318
TRY-UNI-714a760b-4
0.318
MAT-POS-590ac91e-1
0.317
MAT-POS-590ac91e-2
0.317
ERI-UCB-5b47150d-1
0.317
ASH-SAT-43770c7d-9
0.317
JAN-GHE-83b26c96-21
0.314
ALE-HEI-f28a35b5-10
0.314
ALE-HEI-f28a35b5-17
0.313
TRY-UNI-714a760b-5
0.313
SCO-VAN-260d9628-1
0.313
JAG-UCB-cedd89ab-8
0.310
TRY-UNI-714a760b-12
0.310
MAT-POS-590ac91e-6
0.309
ERI-UCB-5b47150d-4
0.308
JAN-GHE-83b26c96-9
0.307
JAN-GHE-83b26c96-23
0.307
ANN-UNI-98d2bf15-2
0.307
JAN-GHE-83b26c96-13
0.306
ALP-POS-95b75b4d-2
0.306
EDG-MED-0da5ad92-6
0.306
TRY-UNI-714a760b-6
0.306
GAB-REV-70cc3ca5-20
0.306
BEN-DND-93268d01-13
0.306
EDJ-MED-e58735b6-2
0.306
MAK-UNK-6ca90168-24
0.306
ALE-HEI-f28a35b5-2
0.304
AHN-SAT-202241f6-1
0.304
TRY-UNI-714a760b-17
0.304
MAT-POS-590ac91e-9
0.304
MAT-POS-590ac91e-5
0.304
GAB-REV-70cc3ca5-23
0.304
ALE-HEI-f28a35b5-13
0.303
ALE-HEI-f28a35b5-12
0.303
MAT-POS-590ac91e-11
0.303
EDG-MED-0da5ad92-11
0.303
JAN-GHE-83b26c96-20
0.303
BAR-COM-0f94fc3d-19
0.303
TRY-UNI-714a760b-20
0.303
ALP-POS-95b75b4d-1
0.301
EDG-MED-0da5ad92-19
0.301
JAN-GHE-83b26c96-12
0.301
SAD-SAT-7d5528d9-12
0.301
GAB-REV-70cc3ca5-21
0.300
ABI-SAT-4d06482b-1
0.300
MAR-TRE-67513f76-79
0.299
JAN-GHE-83b26c96-10
0.299
EDJ-MED-e58735b6-3
0.299
DAR-DIA-0cde14eb-5
0.299
MAT-POS-5d20d11c-1
0.299
MAT-POS-590ac91e-16
0.299
EDG-MED-0da5ad92-10
0.297
JAN-GHE-83b26c96-22
0.297
JAN-GHE-83b26c96-17
0.297
MAK-UNK-f203cb68-18
0.297
MAT-POS-590ac91e-4
0.296
BEN-DND-93268d01-3
0.296
EDJ-MED-c9f55a56-1
0.296
ALP-POS-95b75b4d-15
0.295
MAT-POS-1e5f28a7-1
0.295
SIM-DEM-f31d0e65-1
0.295
DAR-DIA-0cde14eb-1
0.295
JAN-GHE-83b26c96-11
0.294
JAN-GHE-83b26c96-4
0.293
JAN-GHE-83b26c96-5
0.293
TRY-UNI-714a760b-24
0.293
TRY-UNI-2eddb1ff-5
0.293
TRY-UNI-2eddb1ff-4
0.293
EDJ-MED-e58735b6-1
0.293
TRY-UNI-714a760b-18
0.293
MAT-POS-590ac91e-15
0.292
ALE-HEI-f28a35b5-11
0.292
EDG-MED-0da5ad92-8
0.292
TRY-UNI-2eddb1ff-2
0.292
MAT-POS-590ac91e-17
0.292
MAT-POS-590ac91e-18
0.290
MAT-POS-590ac91e-19
0.290
ALP-POS-95b75b4d-3
0.289
ALP-POS-f13221e1-4
0.289
JAN-GHE-83b26c96-14
0.289
MAR-TRE-67513f76-68
0.289
DAR-DIA-0cde14eb-76
0.289
EDG-MED-0da5ad92-5
0.289