Molecule Details
| Molecular Properties | |
| SMILES: | CC(=O)N1CCC(NC(=O)Nc2cnccc2C)CC1 |
| MW: | 276.16 |
| Fraction sp3: | 0.5 |
| HBA: | 3 |
| HBD: | 2 |
| Rotatable Bonds: | 2 |
| TPSA: | 74.33 |
| cLogP: | 1.52 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
BEN-DND-93268d01-8
ALE-HEI-f28a35b5-7
0.690
TRY-UNI-714a760b-11
0.690
BEN-DND-6de5dfa0-10
0.554
BEN-DND-6de5dfa0-14
0.507
NAU-LAT-3f5f3993-1
0.507
AAR-POS-d2a4d1df-3
0.491
MAK-UNK-6435e6c2-8
0.491
BEN-DND-93268d01-8
0.485
EDJ-MED-3c65e9ce-1
0.485
MAK-UNK-6ca90168-27
0.475
MAT-POS-590ac91e-19
0.470
TRY-UNI-714a760b-16
0.464
MAT-POS-590ac91e-5
0.463
SCO-VAN-260d9628-1
0.455
ALE-HEI-f28a35b5-17
0.455
MAT-POS-590ac91e-14
0.451
MAT-POS-590ac91e-13
0.446
ALE-HEI-f28a35b5-13
0.446
MAT-POS-590ac91e-1
0.444
ERI-UCB-5b47150d-1
0.444
MAT-POS-590ac91e-2
0.444
MAK-UNK-6ca90168-26
0.443
BEN-DND-6de5dfa0-6
0.440
TRY-UNI-714a760b-4
0.439
ALE-HEI-f28a35b5-1
0.439
EDJ-MED-3c65e9ce-4
0.437
MAK-UNK-902cc841-15
0.436
BEN-DND-22e6b372-1
0.434
BEN-DND-6de5dfa0-12
0.432
ERI-UCB-5b47150d-4
0.431
MAK-UNK-902cc841-17
0.430
DAR-DIA-0cde14eb-65
0.427
DAR-DIA-0cde14eb-68
0.427
MAT-POS-590ac91e-18
0.426
SAM-UNK-2684b532-8
0.425
ASH-SAT-43770c7d-9
0.422
BEN-DND-6de5dfa0-15
0.421
DAR-DIA-0cde14eb-66
0.421
DAR-DIA-0cde14eb-67
0.421
MAT-POS-590ac91e-7
0.420
ERI-UCB-5b47150d-6
0.420
ALE-HEI-f28a35b5-2
0.420
NIR-THE-b7e8e081-1
0.419
MAT-POS-5d20d11c-1
0.418
MAT-POS-590ac91e-16
0.418
NAU-LAT-3f5f3993-10
0.415
BEN-DND-93268d01-9
0.414
MAT-POS-590ac91e-12
0.414
MAT-POS-590ac91e-22
0.414
ALE-HEI-f28a35b5-6
0.414
TRY-UNI-714a760b-10
0.414
BEN-DND-93268d01-11
0.414
BEN-DND-09b88bf4-5
0.414
EDG-MED-0da5ad92-4
0.414
DAR-DIA-0cde14eb-69
0.410
NAU-LAT-a5c7d7cb-3
0.410
VLA-UCB-05e51b3f-2
0.410
MAT-POS-590ac91e-26
0.408
BEN-DND-93268d01-10
0.408
MAT-POS-590ac91e-4
0.408
MAT-POS-590ac91e-10
0.408
TRY-UNI-714a760b-7
0.408
MAT-POS-590ac91e-6
0.406
MAT-POS-590ac91e-29
0.405
ALE-HEI-f28a35b5-12
0.403
MAT-POS-590ac91e-21
0.403
MAT-POS-590ac91e-8
0.403
TRY-UNI-714a760b-12
0.403
JAG-UCB-cedd89ab-8
0.403
ALE-HEI-f28a35b5-11
0.403
MIH-UNI-6b9ca91a-2
0.402
BEN-DND-6de5dfa0-1
0.400
AHN-SAT-202241f6-1
0.400
BEN-DND-09b88bf4-2
0.400
BEN-DND-22e6b372-3
0.400
TRY-UNI-714a760b-17
0.400
BEN-DND-03406596-7
0.400
SAM-UNK-2684b532-10
0.398
DAR-DIA-0cde14eb-8
0.397
CHR-SOS-1f323c23-10
0.395
BEN-DND-6de5dfa0-16
0.395
BEN-DND-6de5dfa0-7
0.395
BEN-DND-09b88bf4-6
0.395
NIR-THE-b7e8e081-2
0.395
DAR-DIA-6a508060-12
0.394
MAT-POS-590ac91e-23
0.394
ABI-SAT-4d06482b-1
0.394
GAB-REV-70cc3ca5-21
0.394
BEN-DND-22e6b372-4
0.392
BEN-DND-93268d01-3
0.389
MAT-POS-590ac91e-24
0.389
EDG-MED-0da5ad92-9
0.387
MAT-POS-590ac91e-28
0.387
BEN-DND-09b88bf4-3
0.387
BEN-DND-6de5dfa0-3
0.387
BEN-DND-6de5dfa0-5
0.387
NAU-LAT-3f5f3993-5
0.387
CHR-SOS-363cfb78-2
0.387
TRY-UNI-bbd40bb4-6
0.386
DAR-DIA-0cde14eb-5
0.385