Molecule Details
| Molecular Properties | |
| SMILES: | Cc1ccncc1NC(=O)CN1CCN(C(=O)Nc2ccccc2)CC1 |
| MW: | 353.19 |
| Fraction sp3: | 0.32 |
| HBA: | 4 |
| HBD: | 2 |
| Rotatable Bonds: | 4 |
| TPSA: | 77.57 |
| cLogP: | 2.18 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
RED-SAT-26a928c9-1
1.000
BEN-DND-93268d01-8
0.662
EDJ-MED-3c65e9ce-1
0.662
BEN-DND-6de5dfa0-2
0.653
BEN-DND-09b88bf4-1
0.653
BEN-DND-03406596-7
0.625
BEN-DND-6de5dfa0-1
0.625
NIR-THE-b7e8e081-1
0.625
BEN-DND-09b88bf4-2
0.625
NIR-THE-b7e8e081-2
0.616
BEN-DND-09b88bf4-6
0.616
BEN-DND-6de5dfa0-16
0.616
BEN-DND-6de5dfa0-7
0.616
BEN-DND-09b88bf4-5
0.609
BEN-DND-93268d01-9
0.609
BEN-DND-09b88bf4-7
0.605
BEN-DND-09b88bf4-8
0.600
BEN-DND-6de5dfa0-6
0.579
BEN-DND-6de5dfa0-3
0.568
BEN-DND-09b88bf4-3
0.568
NAU-LAT-3f5f3993-5
0.568
BEN-DND-93268d01-11
0.563
BEN-DND-93268d01-10
0.556
ANU-UNK-2781581f-2
0.543
EDJ-MED-3c65e9ce-4
0.541
BEN-DND-6de5dfa0-14
0.526
BEN-DND-6de5dfa0-15
0.519
BEN-DND-6de5dfa0-5
0.506
BEN-DND-09b88bf4-4
0.500
BEN-DND-6de5dfa0-4
0.500
BEN-DND-22e6b372-4
0.494
EDJ-MED-3c65e9ce-3
0.488
TRY-UNI-714a760b-4
0.486
ALE-HEI-f28a35b5-1
0.486
TRY-UNI-714a760b-5
0.479
ALE-HEI-f28a35b5-17
0.479
SCO-VAN-260d9628-1
0.479
BEN-DND-6de5dfa0-9
0.464
AAR-POS-0daf6b7e-44
0.464
BEN-DND-22e6b372-3
0.463
BEN-DND-6de5dfa0-8
0.459
BEN-DND-22e6b372-1
0.458
MAK-UNK-6ca90168-26
0.449
BEN-DND-6de5dfa0-19
0.443
JAN-GHE-83b26c96-11
0.440
BEN-DND-22e6b372-2
0.434
EDJ-MED-3c65e9ce-2
0.434
ALE-HEI-f28a35b5-12
0.432
BEN-DND-6de5dfa0-23
0.429
BEN-DND-93268d01-12
0.427
BEN-DND-6de5dfa0-13
0.427
BEN-DND-6de5dfa0-20
0.427
BEN-DND-6de5dfa0-21
0.427
BEN-DND-93268d01-13
0.425
GAB-REV-70cc3ca5-21
0.423
ALP-POS-90c18d1d-1
0.422
AHN-SAT-de2502ba-7
0.419
MAK-UNK-129dcd6f-17
0.419
EDJ-MED-c9f55a56-1
0.418
MAT-POS-590ac91e-6
0.416
MAT-POS-590ac91e-11
0.413
JOH-UNI-abfda500-6
0.412
ANN-UNI-98d2bf15-1
0.412
ASH-SAT-43770c7d-9
0.411
MAK-UNK-129dcd6f-16
0.409
WAR-XCH-e55cba98-11
0.409
ALP-POS-95b75b4d-2
0.407
MAK-UNK-129dcd6f-15
0.407
SAM-UNK-2684b532-9
0.407
SAD-SAT-2fd372d1-8
0.405
ALE-HEI-f28a35b5-3
0.405
ANU-UNK-2781581f-3
0.404
JAN-GHE-83b26c96-12
0.402
MAT-POS-590ac91e-24
0.400
GAB-REV-70cc3ca5-13
0.398
SAD-SAT-7d5528d9-1
0.396
BEN-DND-93268d01-7
0.393
MAT-POS-590ac91e-7
0.392
MAT-POS-590ac91e-9
0.392
EDJ-MED-e58735b6-2
0.390
BEN-DND-93268d01-14
0.390
TRY-UNI-714a760b-6
0.390
JAN-GHE-83b26c96-13
0.390
PET-SGC-fedd1f79-1
0.390
MAK-UNK-7264f48c-5
0.389
NAU-LAT-3f5f3993-1
0.389
ANN-UNI-98d2bf15-2
0.388
MAT-POS-590ac91e-23
0.388
MIH-UNI-6b9ca91a-1
0.388
EDG-MED-0da5ad92-4
0.388
ALE-HEI-f28a35b5-6
0.388
TRY-UNI-714a760b-10
0.388
DAR-DIA-0cde14eb-63
0.386
ALP-POS-95b75b4d-1
0.386
BEN-DND-93268d01-4
0.386
ADA-UCB-6c2cb422-4
0.385
MAK-UNK-129dcd6f-18
0.385
ALP-POS-6747fa38-1
0.384
VLA-UCB-05e51b3f-1
0.384
NIR-THE-d08c3b48-1
0.384