Molecule Details
| Molecular Properties | |
| SMILES: | Cc1ccncc1NC(=O)CNc1c[nH]c2ccccc12 |
| MW: | 280.331 |
| Fraction sp3: | 0.12 |
| HBA: | 3 |
| HBD: | 3 |
| Rotatable Bonds: | 4 |
| TPSA: | 69.81 |
| cLogP: | 2.92192 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
MAK-UNK-6435e6c2-8
GAB-REV-70cc3ca5-4
0.544
GAB-REV-70cc3ca5-9
0.481
GAB-REV-70cc3ca5-21
0.473
TRY-UNI-714a760b-5
0.452
MAK-UNK-6ca90168-26
0.441
GAB-REV-70cc3ca5-6
0.435
GAB-REV-70cc3ca5-13
0.425
ASH-SAT-43770c7d-9
0.423
BEN-DND-93268d01-13
0.418
GAB-REV-70cc3ca5-7
0.414
JAN-GHE-83b26c96-11
0.413
MAT-POS-590ac91e-11
0.405
ALE-HEI-f28a35b5-12
0.405
ANN-UNI-98d2bf15-1
0.405
TRY-UNI-2eddb1ff-2
0.405
JOH-UNI-abfda500-6
0.405
EDG-MED-0da5ad92-8
0.405
MAT-POS-590ac91e-7
0.403
BEN-DND-93268d01-7
0.402
GAB-REV-70cc3ca5-20
0.400
EDJ-MED-e58735b6-2
0.400
EDJ-MED-3c65e9ce-4
0.400
GAB-REV-70cc3ca5-5
0.396
ALP-POS-95b75b4d-1
0.395
BEN-DND-93268d01-4
0.395
MAK-UNK-6435e6c2-8
0.394
AAR-POS-d2a4d1df-3
0.394
EDJ-MED-c9f55a56-1
0.392
MAT-POS-590ac91e-10
0.392
VLA-UCB-00f2c2b3-1
0.391
EDG-MED-0da5ad92-9
0.390
PET-SGC-6e7c5dc0-1
0.390
MAT-POS-590ac91e-6
0.390
MAT-POS-590ac91e-15
0.388
MAT-POS-590ac91e-17
0.388
WAR-XCH-e55cba98-11
0.386
RAM-SYN-2a37ce6c-3
0.385
GAB-REV-70cc3ca5-10
0.385
MAT-POS-590ac91e-9
0.385
PET-SGC-2e937068-1
0.384
JAN-GHE-83b26c96-13
0.383
ALP-POS-95b75b4d-2
0.383
TRY-UNI-714a760b-6
0.383
BEN-DND-93268d01-5
0.383
ALE-HEI-f28a35b5-3
0.380
MIH-UNI-6b9ca91a-1
0.380
BEN-DND-93268d01-11
0.380
MAT-POS-590ac91e-23
0.380
TRY-UNI-714a760b-10
0.380
ALE-HEI-f28a35b5-6
0.380
EDG-MED-0da5ad92-4
0.380
BEN-DND-93268d01-9
0.380
BEN-DND-09b88bf4-5
0.380
JAN-GHE-83b26c96-12
0.378
BEN-DND-22e6b372-4
0.378
BEN-DND-93268d01-6
0.376
MAT-POS-590ac91e-24
0.375
GAB-REV-70cc3ca5-23
0.375
ALE-HEI-f28a35b5-10
0.375
MAT-POS-173a45da-2
0.375
BEN-DND-93268d01-3
0.375
BEN-DND-93268d01-10
0.375
GAB-REV-70cc3ca5-3
0.372
DAR-DIA-0cde14eb-79
0.372
GAB-REV-70cc3ca5-18
0.371
BEN-DND-93268d01-8
0.370
EDJ-MED-3c65e9ce-1
0.370
BEN-DND-22e6b372-3
0.369
EDJ-MED-e58735b6-1
0.369
BEN-DND-6de5dfa0-4
0.369
BEN-DND-09b88bf4-4
0.369
ALE-HEI-f28a35b5-13
0.368
DAR-DIA-0cde14eb-1
0.368
EDJ-MED-e58735b6-4
0.367
MAK-UNK-6ca90168-27
0.366
GAB-REV-70cc3ca5-2
0.366
ANN-UNI-98d2bf15-2
0.365
JIN-POS-6dc588a4-5
0.365
JAN-GHE-83b26c96-14
0.365
BEN-DND-6de5dfa0-16
0.365
TRY-UNI-2eddb1ff-1
0.365
DAR-DIA-0cde14eb-76
0.365
ALP-POS-95b75b4d-3
0.365
ALP-POS-f13221e1-4
0.365
NIR-THE-b7e8e081-2
0.365
BEN-DND-09b88bf4-6
0.365
BEN-DND-6de5dfa0-7
0.365
ALE-HEI-f28a35b5-1
0.364
VLA-UCB-00f2c2b3-2
0.364
DAR-DIA-0cde14eb-2
0.364
THO-SYG-cc9e9a11-1
0.364
TRY-UNI-714a760b-4
0.364
ADA-UCB-6c2cb422-4
0.363
NAU-LAT-30527ac5-2
0.363
DAR-DIA-0cde14eb-14
0.363
RAL-THA-6b94ceba-9
0.363
GAB-REV-70cc3ca5-8
0.362
MAK-UNK-372b0df5-3
0.361
TRY-UNI-714a760b-20
0.360
DAR-DIA-0cde14eb-3
0.360