Molecular Properties | |
SMILES: | CS(=O)(=O)N1Cc2ccc(Cl)cc2[C@H](C(=O)Nc2cncc3c2COCC3)C1 |
MW: | 421.09 |
Fraction sp3: | 0.37 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 88.6 |
cLogP: | 2.31 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
BEN-DND-f06bfa8e-8
0.761
ALP-POS-e6e0c683-3
0.719
BEN-DND-f06bfa8e-10
0.707
BEN-DND-f06bfa8e-7
0.646
PET-UNK-b38839dc-6
0.594
PET-UNK-b1ef24dc-27
0.577
PET-UNK-b1ef24dc-25
0.577
PET-UNK-7f7e354d-4
0.571
PET-UNK-f4e47ebd-9
0.571
MAT-POS-24589f88-3
0.567
MAT-POS-24589f88-2
0.567
PET-UNK-e274cad4-8
0.567
MAT-POS-dd3ad2b5-4
0.567
PET-UNK-f4e47ebd-10
0.567
ROB-CAM-4c532489-1
0.566
EDJ-MED-d1555997-2
0.561
PET-UNK-03fd2068-4
0.560
BEN-DND-a7517465-10
0.558
BEN-DND-c852c98b-8
0.558
PET-UNK-b1ef24dc-26
0.556
PET-UNK-03fd2068-3
0.556
PET-UNK-b1ef24dc-28
0.556
PET-UNK-e274cad4-3
0.556
FRA-DIA-6238d354-2
0.550
EDJ-MED-d1555997-1
0.550
PET-UNK-f4e47ebd-12
0.549
PET-UNK-b38839dc-8
0.544
PET-UNK-f4e47ebd-11
0.544
BEN-DND-d1eb1f41-5
0.535
PET-UNK-158bee2a-16
0.533
PET-UNK-158bee2a-15
0.527
PET-UNK-b38839dc-7
0.524
PET-UNK-158bee2a-14
0.522
PET-UNK-d61f3ea6-2
0.486
PET-UNK-b38839dc-9
0.481
PET-UNK-158bee2a-13
0.480
EDJ-MED-343bb62d-3
0.471
EDJ-MED-1981ceba-1
0.468
PET-UNK-b1ef24dc-29
0.467
PET-UNK-b1ef24dc-31
0.467
PET-UNK-7f7e354d-5
0.467
EDJ-MED-ee742daa-4
0.467
MAT-POS-4223bc15-6
0.462
MAT-POS-4223bc15-1
0.462
ALF-EVA-07677224-4
0.460
MAT-POS-4223bc15-7
0.459
MAT-POS-4223bc15-2
0.458
BEN-DND-32596b04-8
0.455
PET-UNK-d61f3ea6-1
0.455
EDJ-MED-841e0cf0-7
0.454
EDJ-MED-670ad2ee-9
0.454
EDJ-MED-670ad2ee-10
0.454
MAT-POS-dd1fff26-2
0.451
EDJ-MED-4fff0a85-2
0.451
MAT-POS-5cd9ea36-10
0.451
MAT-POS-4223bc15-8
0.451
MAT-POS-dd1fff26-1
0.451
MAT-POS-5cd9ea36-20
0.450
EDJ-MED-1981ceba-2
0.450
PET-UNK-b1ef24dc-30
0.450
PET-UNK-b1ef24dc-32
0.450
BEN-DND-32596b04-7
0.450
EDJ-MED-841e0cf0-6
0.450
EDJ-MED-670ad2ee-7
0.450
EDJ-MED-670ad2ee-8
0.450
MAT-POS-4223bc15-3
0.449
PET-UNK-d61f3ea6-3
0.446
EDJ-MED-7889e8da-4
0.446
EDJ-MED-be9e6f63-4
0.446
MAT-POS-5cd9ea36-16
0.446
MAT-POS-5cd9ea36-17
0.445
MAT-POS-81ae2990-1
0.443
MAT-POS-81ae2990-3
0.443
EDJ-MED-1981ceba-5
0.442
PET-UNK-b38839dc-11
0.442
BEN-DND-32596b04-2
0.442
MAT-POS-5cd9ea36-4
0.441
MAT-POS-4223bc15-29
0.441
MAT-POS-5c19d660-1
0.441
EDJ-MED-670ad2ee-5
0.440
BRU-THA-d60fe444-1
0.440
BRU-THA-98e973b9-1
0.440
EDJ-MED-841e0cf0-5
0.440
EDJ-MED-670ad2ee-6
0.440
MAT-POS-4223bc15-13
0.440
MAT-POS-81ae2990-2
0.440
ALF-EVA-0e90125c-5
0.439
JOH-SUS-07b743f6-5
0.439
JOH-SUS-07b743f6-7
0.439
PET-UNK-ff046148-4
0.439
ANN-CHE-e1757302-1
0.439
PET-UNK-af70882d-3
0.438
EDJ-MED-76744c27-5
0.438
PET-UNK-af70882d-4
0.438
MAT-POS-5cd9ea36-19
0.438
EDJ-MED-7f6e5b75-1
0.438
EDJ-MED-be9e6f63-3
0.437
EDJ-MED-378a25ea-25
0.437
EDJ-MED-ede277f6-2
0.437
EDJ-MED-ede277f6-12
0.437