Molecular Properties | |
SMILES: | CN(C)S(=O)(=O)N1Cc2ccc(Cl)cc2[C@H](C(=O)Nc2cncc3cnoc23)C1 |
MW: | 435.08 |
Fraction sp3: | 0.28 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 108.64 |
cLogP: | 2.22 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
PET-UNK-c65ea24c-17
PET-UNK-c65ea24c-15
PET-UNK-c65ea24c-14
PET-UNK-c65ea24c-13
PET-UNK-c65ea24c-12
PET-UNK-c65ea24c-11
PET-UNK-c65ea24c-10
PET-UNK-c65ea24c-9
PET-UNK-c65ea24c-8
PET-UNK-c65ea24c-7
PET-UNK-c65ea24c-5
PET-UNK-c65ea24c-4
PET-UNK-c65ea24c-3
PET-UNK-c65ea24c-16
PET-UNK-c65ea24c-6
PET-UNK-c65ea24c-2
PET-UNK-c65ea24c-1
PET-UNK-c65ea24c-18
PET-UNK-b1ef24dc-25
0.814
PET-UNK-b1ef24dc-33
0.696
PET-UNK-b1ef24dc-31
0.667
MAT-POS-4223bc15-2
0.639
PET-UNK-b38839dc-9
0.633
EDJ-MED-670ad2ee-7
0.626
EDJ-MED-670ad2ee-8
0.626
EDJ-MED-841e0cf0-6
0.626
PET-UNK-b1ef24dc-30
0.626
PET-UNK-b38839dc-10
0.612
PET-UNK-b38839dc-11
0.612
EDJ-MED-ee742daa-4
0.586
PET-UNK-7f7e354d-5
0.584
PET-UNK-b1ef24dc-32
0.578
MAT-POS-5cd9ea36-20
0.562
PET-UNK-b1ef24dc-17
0.561
MAT-POS-5cd9ea36-19
0.547
MAT-POS-5cd9ea36-16
0.542
PET-UNK-c65ea24c-11
0.542
PET-UNK-b1ef24dc-27
0.529
MAT-POS-5cd9ea36-23
0.527
MAT-POS-51135489-1
0.527
MAT-POS-af1eef35-2
0.527
EDJ-MED-e18764cb-3
0.527
MAT-POS-5cd9ea36-18
0.523
PET-UNK-e274cad4-8
0.520
PET-UNK-b1ef24dc-5
0.515
EDJ-MED-d1555997-2
0.515
BEN-DND-32596b04-4
0.513
MAT-POS-5cd9ea36-21
0.513
PET-UNK-e274cad4-3
0.510
MAT-POS-5cd9ea36-22
0.509
PET-UNK-f4e47ebd-10
0.505
MAT-POS-24589f88-2
0.505
MAT-POS-24589f88-3
0.505
MAT-POS-dd3ad2b5-4
0.505
PET-UNK-af70882d-3
0.505
EDJ-MED-ede277f6-3
0.504
EDJ-MED-ede277f6-1
0.500
EDJ-MED-ede277f6-2
0.500
PET-UNK-d61f3ea6-2
0.500
PET-UNK-b1ef24dc-21
0.500
PET-UNK-b38839dc-6
0.500
BEN-DND-32596b04-2
0.495
EDJ-MED-1981ceba-5
0.495
PET-UNK-b38839dc-7
0.495
PET-UNK-03fd2068-3
0.495
PET-UNK-b1ef24dc-26
0.495
PET-UNK-f4e47ebd-9
0.495
PET-UNK-b1ef24dc-9
0.495
BEN-DND-32596b04-6
0.491
PET-UNK-ff046148-4
0.491
ALF-EVA-0e90125c-4
0.491
PET-UNK-f4e47ebd-12
0.491
EDJ-MED-1981ceba-2
0.491
BEN-DND-32596b04-7
0.491
FRA-DIA-6238d354-2
0.491
MAT-POS-4223bc15-1
0.491
MAT-POS-4223bc15-6
0.491
EDJ-MED-d1555997-1
0.491
ROB-CAM-4c532489-1
0.491
PET-UNK-b1ef24dc-13
0.490
MAT-POS-5cd9ea36-17
0.486
PET-UNK-b38839dc-8
0.486
PET-UNK-03fd2068-4
0.486
EDJ-MED-1981ceba-1
0.482
BEN-DND-32596b04-8
0.482
PET-UNK-d61f3ea6-1
0.482
EDJ-MED-841e0cf0-7
0.481
EDJ-MED-670ad2ee-9
0.481
PET-UNK-c65ea24c-5
0.481
EDJ-MED-670ad2ee-10
0.481
MAT-POS-4223bc15-11
0.478
MAT-POS-4223bc15-3
0.477
PET-UNK-d61f3ea6-3
0.473
MAT-POS-5cd9ea36-2
0.473
MAT-POS-4223bc15-7
0.473
PET-UNK-f4e47ebd-11
0.473
EDJ-MED-1981ceba-3
0.469
MAT-POS-dc2604c4-4
0.469
EDJ-MED-76744c27-6
0.469
MAT-POS-5cd9ea36-4
0.468
MAT-POS-5cd9ea36-24
0.468
MAT-POS-4223bc15-29
0.468
EDJ-MED-841e0cf0-5
0.468
BRU-THA-98e973b9-1
0.468
EDJ-MED-670ad2ee-6
0.468
BRU-THA-d60fe444-1
0.468
MAT-POS-4223bc15-13
0.468
EDJ-MED-670ad2ee-5
0.468
PET-UNK-7f7e354d-4
0.467
BEN-DND-f06bfa8e-9
0.467
MAT-POS-4223bc15-4
0.465
BEN-DND-32596b04-1
0.465
BEN-DND-32596b04-5
0.465
MAT-POS-5cd9ea36-11
0.465
EDJ-MED-7f6e5b75-1
0.464
EDJ-MED-76744c27-5
0.464
PET-UNK-af70882d-4
0.464
MAT-POS-5cd9ea36-3
0.464