Molecule Details
| Molecular Properties | |
| SMILES: | Cc1ccncc1NC(=O)CN(C)c1cc2ccccc2[nH]1 |
| MW: | 294.358 |
| Fraction sp3: | 0.18 |
| HBA: | 3 |
| HBD: | 2 |
| Rotatable Bonds: | 4 |
| TPSA: | 61.02 |
| cLogP: | 2.94622 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
MAK-UNK-6435e6c2-8
GAB-REV-70cc3ca5-19
0.537
GAB-REV-70cc3ca5-1
0.477
GAB-REV-70cc3ca5-9
0.476
GAB-REV-70cc3ca5-10
0.460
GAB-REV-70cc3ca5-16
0.457
MAK-UNK-6ca90168-26
0.435
TRY-UNI-714a760b-5
0.427
TRY-UNI-714a760b-20
0.422
ALE-HEI-f28a35b5-12
0.419
MAT-POS-590ac91e-11
0.419
VLA-UCB-00f2c2b3-1
0.419
GAB-REV-70cc3ca5-8
0.418
ASH-SAT-43770c7d-9
0.417
GAB-REV-70cc3ca5-17
0.414
BEN-DND-93268d01-4
0.407
VLA-UCB-00f2c2b3-2
0.407
EDJ-MED-c9f55a56-1
0.405
PET-SGC-6e7c5dc0-1
0.403
ANN-UNI-98d2bf15-1
0.400
DAR-DIA-0cde14eb-78
0.400
EDG-MED-0da5ad92-8
0.400
JOH-UNI-abfda500-6
0.400
TRY-UNI-2eddb1ff-2
0.400
MAT-POS-590ac91e-17
0.400
JAN-GHE-83b26c96-13
0.395
ALP-POS-95b75b4d-2
0.395
BEN-DND-93268d01-13
0.395
TRY-UNI-714a760b-6
0.395
EDJ-MED-e58735b6-2
0.395
BEN-DND-93268d01-5
0.395
ALP-POS-f13221e1-4
0.393
MAT-POS-590ac91e-23
0.392
DAR-DIA-0cde14eb-2
0.391
ALP-POS-95b75b4d-1
0.390
JAN-GHE-83b26c96-12
0.390
JAN-GHE-83b26c96-11
0.390
BEN-DND-93268d01-6
0.388
MAK-UNK-6435e6c2-8
0.388
AAR-POS-d2a4d1df-3
0.388
MAT-POS-590ac91e-24
0.388
ALE-HEI-f28a35b5-10
0.388
MAT-POS-590ac91e-10
0.388
BAR-COM-0f94fc3d-41
0.386
MAT-POS-590ac91e-6
0.385
DAR-DIA-0cde14eb-79
0.384
BEN-DND-93268d01-7
0.381
EDJ-MED-e58735b6-1
0.381
MAK-UNK-6ca90168-27
0.380
MAT-POS-590ac91e-7
0.380
MAT-POS-590ac91e-9
0.380
ANN-UNI-98d2bf15-5
0.379
ALP-POS-95b75b4d-4
0.379
DAR-DIA-0cde14eb-1
0.379
THO-SYG-cc9e9a11-4
0.379
ANN-UNI-98d2bf15-2
0.376
TRY-UNI-2eddb1ff-1
0.376
ALP-POS-95b75b4d-3
0.376
JAN-GHE-83b26c96-14
0.376
DAR-DIA-0cde14eb-76
0.376
GAB-REV-70cc3ca5-2
0.376
MIH-UNI-6b9ca91a-1
0.375
BEN-DND-93268d01-9
0.375
GAB-REV-70cc3ca5-21
0.375
TRY-UNI-714a760b-10
0.375
ALE-HEI-f28a35b5-6
0.375
BEN-DND-93268d01-11
0.375
ALE-HEI-f28a35b5-3
0.375
EDG-MED-0da5ad92-4
0.375
THO-SYG-cc9e9a11-3
0.375
BEN-DND-09b88bf4-5
0.375
MAK-UNK-372b0df5-3
0.373
BEN-DND-22e6b372-4
0.373
GAB-REV-70cc3ca5-6
0.371
DAR-DIA-0cde14eb-3
0.371
DAR-DIA-0cde14eb-4
0.371
DAR-DIA-0cde14eb-77
0.371
THO-SYG-cc9e9a11-2
0.371
BEN-DND-93268d01-10
0.370
GAB-REV-70cc3ca5-12
0.370
BEN-DND-93268d01-12
0.370
BEN-DND-6de5dfa0-13
0.370
NAU-LAT-3f5f3993-5
0.369
BEN-DND-09b88bf4-3
0.369
BEN-DND-6de5dfa0-3
0.369
GAB-REV-70cc3ca5-13
0.369
EDG-MED-0da5ad92-9
0.369
BEN-DND-93268d01-2
0.369
BEN-DND-6de5dfa0-15
0.368
RAL-THA-6b94ceba-6
0.368
EDJ-MED-e58735b6-3
0.368
GAB-REV-70cc3ca5-18
0.367
GAB-REV-70cc3ca5-11
0.367
BAR-COM-0f94fc3d-18
0.367
GAB-REV-70cc3ca5-4
0.367
PET-SGC-d5b502b1-1
0.367
WAR-XCH-e55cba98-11
0.367
WIL-WAB-6ef46ddb-1
0.367
MAT-POS-590ac91e-15
0.366
EDJ-MED-3c65e9ce-1
0.366
BEN-DND-93268d01-8
0.366