Molecule Details
| Molecular Properties | |
| SMILES: | Cc1cnn(CC(=O)Nc2cnccc2Cc2ccccc2)c1 |
| MW: | 306.15 |
| Fraction sp3: | 0.17 |
| HBA: | 4 |
| HBD: | 1 |
| Rotatable Bonds: | 5 |
| TPSA: | 59.81 |
| cLogP: | 2.82 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
WIL-UNI-5578df48-11
0.520
TRY-UNI-714a760b-5
0.390
SAD-SAT-7d5528d9-2
0.380
DAR-DIA-03336633-8
0.365
BEN-DND-09b88bf4-7
0.358
DAR-DIA-03336633-9
0.354
DAR-DIA-03336633-10
0.347
MAK-UNK-f203cb68-2
0.344
DAR-DIA-03336633-7
0.343
BAR-COM-0f94fc3d-20
0.333
MAK-UNK-f2409524-35
0.331
ANU-UNK-2781581f-1
0.330
RED-SAT-26a928c9-1
0.330
BEN-DND-93268d01-14
0.329
BEN-DND-09b88bf4-1
0.323
BEN-DND-6de5dfa0-2
0.323
GAB-REV-70cc3ca5-13
0.322
BEN-DND-93268d01-10
0.321
ANU-UNK-2781581f-2
0.319
EDJ-MED-e58735b6-2
0.314
TRY-UNI-714a760b-2
0.313
SAD-SAT-7d5528d9-1
0.312
ALP-POS-95b75b4d-1
0.310
JAN-GHE-83b26c96-12
0.310
BEN-DND-09b88bf4-5
0.310
BEN-DND-93268d01-11
0.310
BEN-DND-93268d01-9
0.310
DAR-DIA-0cde14eb-78
0.308
MAK-UNK-f203cb68-4
0.307
NAU-LAT-3f5f3993-5
0.307
BEN-DND-6de5dfa0-3
0.307
BEN-DND-09b88bf4-3
0.307
JAN-GHE-83b26c96-11
0.305
SAD-SAT-24589cd1-8
0.304
JAG-UCB-a3ef7265-23
0.304
MAK-UNK-748f8b7a-6
0.304
SAD-SAT-24589cd1-6
0.304
SAN-PRS-52b81272-2
0.304
EDJ-MED-e58735b6-1
0.303
BEN-DND-09b88bf4-2
0.303
BEN-DND-6de5dfa0-1
0.303
BEN-DND-03406596-7
0.303
EDJ-MED-3c65e9ce-1
0.302
BEN-DND-93268d01-8
0.302
JOH-UNI-abfda500-6
0.302
ANN-UNI-98d2bf15-1
0.302
DAR-DIA-03336633-6
0.302
DAR-DIA-0cde14eb-63
0.301
EDJ-MED-3c65e9ce-3
0.301
THO-SYG-cc9e9a11-5
0.301
ALP-POS-95b75b4d-9
0.300
NAU-LAT-64f4b287-9
0.300
NIR-THE-b7e8e081-2
0.300
BEN-DND-6de5dfa0-16
0.300
MAK-UNK-7264f48c-2
0.299
EDJ-MED-3c65e9ce-4
0.299
TRY-UNI-714a760b-6
0.299
JAN-GHE-83b26c96-13
0.299
ALP-POS-95b75b4d-2
0.299
BEN-DND-93268d01-13
0.299
MAR-TRE-2fd8122f-78
0.299
AHN-SAT-202241f6-1
0.298
TRY-UNI-714a760b-17
0.298
BEN-DND-22e6b372-2
0.297
ALP-POS-90c18d1d-1
0.296
BEN-DND-22e6b372-4
0.295
MIH-UNI-6b9ca91a-1
0.294
JOH-IMS-d6628593-1
0.294
LON-WEI-ff7b210a-4
0.293
JOH-IMS-d6628593-3
0.293
ALE-HEI-f28a35b5-1
0.293
TRY-UNI-714a760b-4
0.293
BEN-DND-6de5dfa0-5
0.292
BEN-DND-93268d01-2
0.292
DAR-DIA-0cde14eb-74
0.292
BEN-DND-93268d01-3
0.291
DAR-DIA-0cde14eb-61
0.290
DAR-DIA-0cde14eb-64
0.290
ALP-POS-0c2c77e1-1
0.290
ANN-UNI-98d2bf15-5
0.290
MAT-POS-bb423b95-3
0.290
BEN-DND-6de5dfa0-4
0.289
BEN-DND-22e6b372-3
0.289
NIR-THE-b7e8e081-1
0.289
BEN-DND-09b88bf4-4
0.289
TRY-UNI-2eddb1ff-2
0.287
EDG-MED-0da5ad92-8
0.287
CHA-KIN-ceadbd93-2
0.287
DAR-DIA-0cde14eb-62
0.287
DAR-DIA-03336633-11
0.287
MAT-POS-590ac91e-6
0.286
BEN-DND-09b88bf4-6
0.286
DAR-DIA-0cde14eb-76
0.286
ALP-POS-95b75b4d-3
0.286
BEN-DND-6de5dfa0-13
0.286
JAN-GHE-83b26c96-14
0.286
BEN-DND-6de5dfa0-7
0.286
ANN-UNI-98d2bf15-2
0.286
MAK-UNK-6ca90168-26
0.286
BEN-DND-93268d01-12
0.286