Molecular Properties | |
SMILES: | CC(=O)N1Cc2ccc(Cl)cc2[C@H](C(=O)Nc2cncc3cnsc23)C1 |
MW: | 386.06 |
Fraction sp3: | 0.22 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 75.19 |
cLogP: | 3.43 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
PET-UNK-b1ef24dc-26
0.730
PET-UNK-b1ef24dc-30
0.699
PET-UNK-b1ef24dc-36
0.638
MAT-POS-dd3ad2b5-2
0.617
PET-UNK-9b23ef84-2
0.617
PET-UNK-b1ef24dc-33
0.611
PET-UNK-b1ef24dc-18
0.596
PET-UNK-7f7e354d-6
0.571
PET-UNK-b1ef24dc-35
0.556
PET-UNK-b1ef24dc-22
0.531
PET-UNK-b1ef24dc-6
0.520
PET-UNK-b1ef24dc-10
0.520
PET-UNK-b1ef24dc-14
0.510
MAT-POS-4223bc15-19
0.505
RAL-THA-6e4c80cf-1
0.505
PET-UNK-c65ea24c-16
0.495
MAT-POS-4223bc15-18
0.495
MAT-POS-dd3ad2b5-5
0.490
MAT-POS-dd3ad2b5-3
0.490
MAT-POS-4223bc15-35
0.481
RAL-THA-6e4c80cf-2
0.477
MAT-POS-4223bc15-20
0.477
MAT-POS-4223bc15-17
0.476
MAT-POS-4223bc15-41
0.468
ALF-EVA-0e90125c-2
0.460
MAT-POS-4223bc15-36
0.459
MAT-POS-4223bc15-33
0.459
PET-UNK-c65ea24c-4
0.459
MAT-POS-4223bc15-38
0.455
MAT-POS-4223bc15-37
0.455
PET-UNK-b1ef24dc-28
0.453
MAT-POS-4223bc15-40
0.451
MAT-POS-be048f2c-1
0.448
MAT-POS-4223bc15-39
0.443
ALF-EVA-0e90125c-1
0.442
MAT-POS-dd3ad2b5-1
0.442
BEN-DND-f2e727cd-6
0.442
RAL-THA-6e4c80cf-3
0.441
MAT-POS-be048f2c-4
0.441
PET-UNK-b1ef24dc-32
0.436
RAL-THA-6e4c80cf-4
0.436
MAT-POS-be048f2c-3
0.436
ROB-CAM-4c532489-1
0.435
MAT-POS-dd3ad2b5-4
0.434
PET-UNK-f4e47ebd-10
0.434
PET-UNK-e274cad4-8
0.434
MAT-POS-24589f88-3
0.434
MAT-POS-24589f88-2
0.434
MAT-POS-be048f2c-2
0.432
EDJ-MED-12c4873b-3
0.431
PET-UNK-03fd2068-4
0.431
VLA-UNK-5b0345c3-2
0.431
PET-UNK-b1ef24dc-25
0.430
EDJ-MED-d1555997-2
0.430
PET-UNK-f4e47ebd-9
0.426
PET-UNK-9b23ef84-3
0.426
MAT-POS-61f37a1a-12
0.426
PET-UNK-03fd2068-3
0.426
PET-UNK-162c14b2-1
0.426
PET-UNK-e274cad4-3
0.426
PET-UNK-f4e47ebd-12
0.423
EDJ-MED-d1555997-1
0.422
MAT-POS-4223bc15-6
0.422
MAT-POS-4223bc15-1
0.422
EDJ-MED-e9a22d5d-1
0.422
FRA-DIA-6238d354-2
0.422
EDJ-MED-c82a5324-1
0.421
DAR-DIA-d8bd013f-2
0.421
DAR-DIA-d8bd013f-4
0.421
MAT-POS-5cd9ea36-17
0.420
MAT-POS-4223bc15-2
0.418
MAT-POS-4223bc15-23
0.418
MAT-POS-4223bc15-26
0.418
PET-UNK-d61f3ea6-2
0.418
MAT-POS-8293a91a-5
0.418
RAL-THA-ee48ba5f-5
0.418
MAT-POS-8293a91a-4
0.418
MIC-UNK-482af05e-2
0.418
MAT-POS-4223bc15-27
0.418
PET-UNK-c65ea24c-10
0.417
EDJ-MED-12c4873b-1
0.416
DAR-DIA-d8bd013f-1
0.416
DAR-DIA-d8bd013f-3
0.416
MAT-POS-5cd9ea36-14
0.416
EDJ-MED-0186a59b-2
0.414
EDJ-MED-670ad2ee-9
0.414
PET-UNK-b1ef24dc-29
0.414
EDJ-MED-7889e8da-3
0.414
BRU-THA-98e973b9-1
0.414
PET-UNK-162c14b2-2
0.414
EDJ-MED-670ad2ee-10
0.414
EDJ-MED-841e0cf0-7
0.414
MAT-POS-4223bc15-30
0.414
ALF-EVA-0e90125c-4
0.414
PET-UNK-5ba9a1cb-2
0.414
EDJ-MED-c40d95bc-2
0.413
MAT-POS-4223bc15-21
0.413
MAT-POS-4223bc15-25
0.413
MAT-POS-5cd9ea36-19
0.412
MAT-UNK-04ae9652-1
0.412