Molecular Properties | |
SMILES: | O=C(Nc1cncc2cnoc12)[C@@H]1CS(=O)(=O)Cc2ccc(Cl)cc21 |
MW: | 377.02 |
Fraction sp3: | 0.19 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 102.16 |
cLogP: | 2.53 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
PET-UNK-b1ef24dc-19
0.633
PET-UNK-b1ef24dc-21
0.625
PET-UNK-1b92fa34-1
0.611
PET-UNK-1e13ef09-5
0.611
PET-UNK-b1ef24dc-18
0.604
PET-UNK-e274cad4-5
0.602
PET-UNK-e274cad4-10
0.598
PET-UNK-1b92fa34-2
0.598
PET-UNK-1e13ef09-6
0.598
PET-UNK-1e13ef09-1
0.585
PET-UNK-b1ef24dc-33
0.585
PET-UNK-b1ef24dc-25
0.585
PET-UNK-1e13ef09-2
0.567
ALP-POS-e6e0c683-4
0.567
PET-UNK-1e13ef09-3
0.561
PET-UNK-b1ef24dc-29
0.561
PET-UNK-1e13ef09-4
0.561
PET-UNK-b1ef24dc-13
0.559
PET-UNK-329a9ce9-1
0.550
PET-UNK-b1ef24dc-9
0.548
PET-UNK-b1ef24dc-20
0.547
PET-UNK-329a9ce9-2
0.545
PET-UNK-329a9ce9-3
0.539
PET-UNK-b1ef24dc-5
0.538
PET-UNK-329a9ce9-4
0.534
MAT-POS-1a13cd81-1
0.438
PET-UNK-1b92fa34-4
0.419
PET-UNK-ab76d8f6-5
0.415
PET-UNK-1b92fa34-3
0.410
PET-UNK-0df12184-4
0.410
PET-UNK-b1ef24dc-1
0.409
PET-UNK-c65ea24c-17
0.407
PET-UNK-c65ea24c-5
0.404
PET-UNK-c65ea24c-11
0.386
PET-UNK-c0891748-4
0.381
PET-UNK-c0891748-10
0.381
PET-UNK-b1ef24dc-23
0.371
ALP-UNI-c3ef0aba-2
0.362
BEN-DND-f2e727cd-4
0.362
PET-UNK-b1ef24dc-22
0.362
MIC-UNK-91acba05-4
0.362
ALP-POS-477dc5b7-1
0.362
MAT-UNK-35705829-1
0.357
PET-UNK-b78139fa-9
0.356
PET-UNK-022eab87-1
0.356
PET-UNK-b1ef24dc-27
0.355
MAT-POS-dd3ad2b5-1
0.352
BEN-DND-f2e727cd-6
0.352
PET-UNK-b78139fa-1
0.352
PET-UNK-b1ef24dc-35
0.351
PET-UNK-9b23ef84-11
0.350
BEN-DND-f2e727cd-5
0.349
MAT-POS-3ccb8ef6-1
0.349
MAT-POS-d8472c4f-5
0.349
MAT-POS-3ccb8ef6-2
0.349
PET-UNK-b78139fa-7
0.346
PET-UNK-b78139fa-4
0.346
PET-UNK-b78139fa-6
0.346
PET-UNK-b78139fa-8
0.346
ROB-UNI-322e8f70-2
0.343
PET-UNK-b78139fa-5
0.343
EDJ-MED-d1555997-2
0.342
PET-UNK-b38839dc-6
0.342
PET-UNK-b1ef24dc-31
0.342
EDJ-MED-4fff0a85-4
0.342
MAT-POS-bf364d7a-3
0.342
MAT-POS-bf364d7a-4
0.342
PET-UNK-b1ef24dc-26
0.339
PET-UNK-e274cad4-3
0.339
PET-UNK-b1ef24dc-34
0.339
PET-UNK-7279c968-2
0.336
ROB-CAM-4c532489-1
0.336
EDJ-MED-d1555997-1
0.336
MAT-POS-dd3ad2b5-5
0.336
MAT-POS-5cd9ea36-2
0.336
EDJ-MED-1981ceba-5
0.336
BEN-DND-32596b04-2
0.336
BEN-DND-32596b04-8
0.336
RAL-THA-6e4c80cf-1
0.333
MAT-POS-4223bc15-27
0.333
PET-UNK-9b23ef84-2
0.333
MAT-POS-dd3ad2b5-3
0.333
MAT-POS-dd3ad2b5-4
0.333
MAT-POS-4223bc15-19
0.333
MAT-POS-4223bc15-26
0.333
PET-UNK-f4e47ebd-10
0.333
PET-UNK-e274cad4-8
0.333
PET-UNK-d61f3ea6-2
0.333
MAT-POS-24589f88-3
0.333
MAT-POS-24589f88-2
0.333
MAT-POS-dd3ad2b5-2
0.333
MAT-POS-be048f2c-1
0.333
EDJ-MED-ede277f6-11
0.331
BEN-DND-32596b04-3
0.331
ALF-EVA-0e90125c-8
0.331
MAT-UNK-f490e871-1
0.331
MAT-POS-5cd9ea36-3
0.331
MAT-UNK-04ae9652-1
0.331
EDJ-MED-0186a59b-4
0.331
PET-UNK-b38839dc-9
0.330