Molecular Properties | |
SMILES: | CNC(=O)[C@@H](CCSC)N1Cc2ccccc2[C@H](C(=O)Nc2cncc3cccc(Cl)c23)C1 |
MW: | 482.15 |
Fraction sp3: | 0.32 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 74.33 |
cLogP: | 4.29 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
BEN-DND-fa51d92c-15
0.804
BEN-DND-fa51d92c-16
0.706
BEN-DND-fa51d92c-8
0.699
BEN-DND-fa51d92c-4
0.631
BEN-DND-f6031113-3
0.625
BEN-DND-fa51d92c-1
0.619
BEN-DND-fa51d92c-5
0.619
BEN-DND-fa51d92c-3
0.614
BEN-DND-f6031113-15
0.558
BEN-DND-fa51d92c-23
0.532
BEN-DND-f6031113-16
0.509
BEN-DND-f6031113-8
0.504
BEN-DND-fa51d92c-14
0.500
BEN-DND-fa51d92c-13
0.492
EDJ-MED-0186a59b-4
0.487
BEN-DND-fa51d92c-11
0.483
BEN-DND-fa51d92c-12
0.479
BEN-DND-fa51d92c-21
0.457
BEN-DND-fa51d92c-22
0.453
MIK-ENA-5d9157e9-3
0.450
MIK-ENA-5d9157e9-4
0.450
EDJ-MED-0186a59b-8
0.450
EDJ-MED-ede277f6-9
0.447
EDJ-MED-ede277f6-5
0.444
MAT-POS-81ae2990-1
0.444
BEN-DND-fa51d92c-20
0.431
BEN-DND-fa51d92c-7
0.427
MAT-POS-81ae2990-4
0.425
BEN-DND-fa51d92c-19
0.424
EDJ-MED-ede277f6-11
0.422
BEN-DND-fa51d92c-6
0.421
BEN-DND-fa51d92c-17
0.419
EDJ-MED-ede277f6-3
0.419
MAT-POS-81ae2990-7
0.417
MAT-POS-b4d6b7fc-8
0.417
BEN-DND-fa51d92c-18
0.416
BEN-DND-fa51d92c-10
0.416
BEN-DND-fa51d92c-9
0.413
EDJ-MED-c82a5324-1
0.411
DAR-DIA-d8bd013f-4
0.411
DAR-DIA-d8bd013f-2
0.411
DAR-DIA-d8bd013f-9
0.408
DAR-DIA-d8bd013f-10
0.408
EDJ-MED-54fbebd8-2
0.407
EDJ-MED-f9b78f78-3
0.402
DAR-DIA-d8bd013f-11
0.400
DAR-DIA-d8bd013f-12
0.400
BEN-DND-a7517465-3
0.397
EDJ-MED-94fddcec-3
0.393
BEN-DND-f6031113-4
0.382
MIC-UNK-51049f1a-4
0.381
EDJ-MED-54fbebd8-1
0.380
BEN-DND-fa51d92c-24
0.377
MIC-UNK-51049f1a-3
0.377
BEN-DND-f6031113-5
0.373
DAR-DIA-d8bd013f-13
0.371
DAR-DIA-d8bd013f-14
0.371
EDJ-MED-139368ae-5
0.371
BEN-DND-f6031113-2
0.370
BEN-DND-f6031113-1
0.368
EDJ-MED-54fbebd8-3
0.366
ROB-CAM-4c532489-1
0.366
EDJ-MED-54fbebd8-4
0.363
EDJ-MED-9537a89a-3
0.362
EDJ-MED-54fbebd8-5
0.354
DAR-DIA-d8bd013f-3
0.352
DAR-DIA-d8bd013f-1
0.352
MAT-POS-5cd9ea36-14
0.352
EDJ-MED-d1555997-2
0.350
MIC-UNK-51049f1a-2
0.349
EDJ-MED-6ab52e52-1
0.349
MIC-UNK-50cce87d-2
0.349
MIC-UNK-51049f1a-1
0.348
BEN-DND-f6031113-23
0.346
MAT-POS-e119ab4f-3
0.346
DAR-DIA-d8bd013f-8
0.346
DAR-DIA-d8bd013f-7
0.346
EDJ-MED-d1555997-1
0.344
EDJ-MED-28cccd0c-2
0.344
EDJ-MED-28cccd0c-3
0.344
DAR-DIA-d8bd013f-5
0.344
DAR-DIA-d8bd013f-6
0.344
EDJ-MED-28cccd0c-4
0.341
EDJ-MED-139368ae-2
0.339
EDJ-MED-139368ae-4
0.339
MAT-POS-666635d5-1
0.338
EDJ-MED-c3ea9889-4
0.338
EDJ-MED-75baa495-3
0.338
EDJ-MED-139368ae-3
0.336
EDJ-MED-9537a89a-2
0.333
BEN-DND-f6031113-14
0.333
EDJ-MED-c3ea9889-8
0.333
MAT-POS-81ae2990-2
0.333
MAT-POS-853c0ffa-3
0.333
MAT-POS-a334828f-1
0.333
MAT-POS-13080fc6-5
0.326
EDJ-MED-139368ae-1
0.326
BEN-DND-f6031113-13
0.324
EDJ-MED-c7fc9efa-2
0.323
EDJ-MED-28cccd0c-1
0.321