Molecular Properties | |
SMILES: | CN(C)S(=O)(=O)N1Cc2ccc(Cl)cc2[C@H](C(=O)Nc2cncc3occc23)C1 |
MW: | 434.08 |
Fraction sp3: | 0.26 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 95.75 |
cLogP: | 2.83 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MIC-UNK-ea4eb352-1
ALP-POS-f1807566-3
EDJ-MED-00c1612e-1
ADA-UCB-6c2cb422-1
PET-UNK-7f7e354d-7
MAT-POS-4223bc15-2
JIN-POS-6dc588a4-22
PET-UNK-88d26eaf-1
MAT-POS-24589f88-3
PET-UNK-29afea89-2
MAR-UCB-fd2e172f-41
PET-UNK-9bf1291a-1
MIC-UNK-91acba05-1
MAT-POS-b3e365b9-1
EDJ-MED-b7309adf-2
MIC-UNK-91acba05-3
JIN-POS-6dc588a4-11
PET-UNK-b38839dc-6
0.814
PET-UNK-b1ef24dc-31
0.720
PET-UNK-19e211a9-4
0.690
MAT-POS-4223bc15-2
0.656
PET-UNK-7f7e354d-5
0.649
EDJ-MED-841e0cf0-6
0.643
EDJ-MED-670ad2ee-7
0.643
EDJ-MED-670ad2ee-8
0.643
PET-UNK-b1ef24dc-32
0.643
PET-UNK-b1ef24dc-29
0.633
PET-UNK-b38839dc-10
0.612
PET-UNK-b38839dc-11
0.612
PET-UNK-b1ef24dc-30
0.594
EDJ-MED-ee742daa-4
0.586
MAT-POS-5cd9ea36-19
0.577
PET-UNK-b1ef24dc-27
0.576
MAT-POS-5cd9ea36-20
0.562
MAT-POS-5cd9ea36-16
0.557
MAT-POS-5cd9ea36-23
0.556
BEN-DND-32596b04-4
0.541
MAT-POS-af1eef35-2
0.541
EDJ-MED-e18764cb-3
0.541
MAT-POS-51135489-1
0.541
MAT-POS-5cd9ea36-18
0.536
MAT-POS-5cd9ea36-22
0.536
FRA-DIA-6238d354-2
0.534
MAT-POS-4223bc15-1
0.534
PET-UNK-b38839dc-24
0.528
MAT-POS-5cd9ea36-21
0.527
PET-UNK-7f7e354d-4
0.524
EDJ-MED-841e0cf0-7
0.524
EDJ-MED-670ad2ee-10
0.524
EDJ-MED-670ad2ee-9
0.524
MAT-POS-24589f88-2
0.520
PET-UNK-f4e47ebd-10
0.520
MAT-POS-dd3ad2b5-4
0.520
MAT-POS-24589f88-3
0.520
PET-UNK-d61f3ea6-2
0.514
EDJ-MED-ede277f6-1
0.513
EDJ-MED-ede277f6-2
0.513
PET-UNK-b38839dc-3
0.510
PET-UNK-03fd2068-3
0.510
PET-UNK-f4e47ebd-9
0.510
PET-UNK-b1ef24dc-28
0.510
EDJ-MED-1981ceba-5
0.509
BEN-DND-32596b04-2
0.509
MAT-POS-4223bc15-6
0.505
PET-UNK-f4e47ebd-12
0.505
PET-UNK-af70882d-3
0.505
ALF-EVA-0e90125c-4
0.505
PET-UNK-b1ef24dc-25
0.500
PET-UNK-03fd2068-4
0.500
EDJ-MED-1981ceba-1
0.495
MAT-POS-4223bc15-29
0.495
PET-UNK-b38839dc-7
0.495
PET-UNK-b1ef24dc-35
0.495
PET-UNK-ff046148-4
0.491
BEN-DND-32596b04-7
0.491
EDJ-MED-1981ceba-2
0.491
MAT-POS-4223bc15-3
0.491
PET-UNK-b38839dc-15
0.490
ANN-CHE-e1757302-3
0.487
PET-UNK-d61f3ea6-3
0.486
MAT-POS-4223bc15-5
0.486
MAT-POS-4223bc15-7
0.486
PET-UNK-f4e47ebd-11
0.486
PET-UNK-b38839dc-8
0.486
MAT-POS-5cd9ea36-17
0.486
PET-UNK-7279c968-4
0.485
PET-UNK-b38839dc-12
0.485
EDJ-MED-1981ceba-3
0.482
BEN-DND-32596b04-8
0.482
MAT-POS-5cd9ea36-4
0.482
PET-UNK-d61f3ea6-1
0.482
EDJ-MED-841e0cf0-5
0.481
EDJ-MED-670ad2ee-5
0.481
BRU-THA-d60fe444-1
0.481
EDJ-MED-670ad2ee-6
0.481
MAT-POS-4223bc15-13
0.481
BRU-THA-98e973b9-1
0.481
BEN-DND-f06bfa8e-9
0.481
EDJ-MED-ede277f6-3
0.479
BEN-DND-32596b04-6
0.478
MAT-POS-4223bc15-11
0.478
ALF-EVA-0e90125c-5
0.478
BEN-DND-32596b04-1
0.478
ANN-CHE-e1757302-1
0.478
EDJ-MED-76744c27-5
0.477
EDJ-MED-7f6e5b75-1
0.477
PET-UNK-af70882d-4
0.477
PET-UNK-b38839dc-21
0.477
BEN-DND-f06bfa8e-8
0.477
PET-UNK-e274cad4-8
0.476
ALF-EVA-07677224-4
0.474
EDJ-MED-1981ceba-4
0.473
ALF-EVA-07677224-3
0.473
MAT-POS-5cd9ea36-2
0.473
MAT-POS-4223bc15-15
0.473
ALP-POS-e6e0c683-3
0.472
EDJ-MED-d1555997-2
0.472