Molecular Properties | |
SMILES: | CNC(=O)[C@@H](CO)N1Cc2ccccc2[C@H](C(=O)Nc2cncc3cccc(Cl)c23)C1 |
MW: | 438.15 |
Fraction sp3: | 0.26 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 94.56 |
cLogP: | 2.53 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
BEN-DND-fa51d92c-2
0.804
BEN-DND-fa51d92c-16
0.742
BEN-DND-fa51d92c-8
0.735
BEN-DND-fa51d92c-23
0.650
BEN-DND-f6031113-15
0.613
BEN-DND-fa51d92c-14
0.607
BEN-DND-fa51d92c-11
0.602
BEN-DND-fa51d92c-12
0.596
BEN-DND-fa51d92c-13
0.596
BEN-DND-f6031113-3
0.553
BEN-DND-f6031113-16
0.532
BEN-DND-f6031113-8
0.527
EDJ-MED-0186a59b-4
0.523
EDJ-MED-c82a5324-1
0.504
DAR-DIA-d8bd013f-2
0.504
DAR-DIA-d8bd013f-4
0.504
BEN-DND-fa51d92c-4
0.492
BEN-DND-fa51d92c-5
0.483
BEN-DND-fa51d92c-1
0.483
BEN-DND-fa51d92c-3
0.479
EDJ-MED-ede277f6-9
0.479
EDJ-MED-ede277f6-5
0.475
MAT-POS-81ae2990-1
0.475
EDJ-MED-0186a59b-8
0.470
MIK-ENA-5d9157e9-3
0.470
MIK-ENA-5d9157e9-4
0.470
BEN-DND-fa51d92c-21
0.464
BEN-DND-fa51d92c-22
0.460
MAT-POS-81ae2990-4
0.455
EDJ-MED-ede277f6-11
0.451
EDJ-MED-ede277f6-3
0.447
MAT-POS-81ae2990-7
0.446
MAT-POS-b4d6b7fc-8
0.446
BEN-DND-fa51d92c-17
0.437
BEN-DND-fa51d92c-20
0.437
BEN-DND-fa51d92c-7
0.433
BEN-DND-fa51d92c-10
0.433
BEN-DND-fa51d92c-18
0.433
BEN-DND-fa51d92c-9
0.430
BEN-DND-fa51d92c-19
0.430
BEN-DND-fa51d92c-6
0.426
DAR-DIA-d8bd013f-9
0.424
DAR-DIA-d8bd013f-10
0.424
EDJ-MED-54fbebd8-2
0.412
EDJ-MED-f9b78f78-3
0.407
DAR-DIA-d8bd013f-11
0.405
DAR-DIA-d8bd013f-12
0.405
MIC-UNK-51049f1a-3
0.403
BEN-DND-a7517465-3
0.402
EDJ-MED-94fddcec-3
0.398
MIC-UNK-51049f1a-4
0.397
ROB-CAM-4c532489-1
0.393
DAR-DIA-d8bd013f-13
0.385
DAR-DIA-d8bd013f-14
0.385
EDJ-MED-54fbebd8-1
0.385
BEN-DND-fa51d92c-24
0.381
EDJ-MED-d1555997-2
0.376
EDJ-MED-139368ae-5
0.375
BEN-DND-f6031113-23
0.372
EDJ-MED-d1555997-1
0.370
EDJ-MED-54fbebd8-3
0.370
EDJ-MED-54fbebd8-4
0.367
MAT-POS-5cd9ea36-14
0.366
DAR-DIA-d8bd013f-3
0.366
DAR-DIA-d8bd013f-1
0.366
EDJ-MED-9537a89a-3
0.365
MIC-UNK-51049f1a-1
0.362
MAT-POS-e119ab4f-3
0.360
DAR-DIA-d8bd013f-7
0.360
DAR-DIA-d8bd013f-8
0.360
EDJ-MED-54fbebd8-5
0.358
BEN-DND-f6031113-14
0.357
DAR-DIA-d8bd013f-6
0.357
DAR-DIA-d8bd013f-5
0.357
MAT-POS-81ae2990-2
0.357
MIC-UNK-50cce87d-2
0.352
EDJ-MED-6ab52e52-1
0.352
EDJ-MED-75baa495-3
0.352
MIC-UNK-51049f1a-2
0.352
MAT-POS-13080fc6-5
0.349
BEN-DND-f6031113-11
0.349
EDJ-MED-28cccd0c-2
0.347
MAT-POS-853c0ffa-3
0.346
EDJ-MED-28cccd0c-3
0.346
MAT-POS-a334828f-1
0.346
BEN-DND-f6031113-12
0.346
BEN-DND-f6031113-13
0.346
EDJ-MED-28cccd0c-4
0.344
EDJ-MED-139368ae-2
0.342
EDJ-MED-139368ae-4
0.341
MAT-POS-666635d5-1
0.341
EDJ-MED-c3ea9889-4
0.341
MAT-POS-81ae2990-5
0.341
EDJ-MED-139368ae-3
0.339
MAT-POS-13080fc6-6
0.336
EDJ-MED-9537a89a-2
0.336
MAT-POS-81ae2990-8
0.333
EDJ-MED-139368ae-1
0.328
BEN-DND-f2e727cd-6
0.328
MAT-POS-dd3ad2b5-1
0.328