Molecular Properties | |
SMILES: | COc1cc2c(NC(=O)[C@@H]3CN(S(=O)(=O)N(C)C)Cc4ccc(Cl)cc43)cncc2cc1Cl |
MW: | 508.07 |
Fraction sp3: | 0.27 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 91.84 |
cLogP: | 3.89 |
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-8
0.826
PET-UNK-b38839dc-10
0.811
EDJ-MED-841e0cf0-6
0.687
EDJ-MED-670ad2ee-7
0.687
EDJ-MED-670ad2ee-8
0.687
PET-UNK-b38839dc-7
0.673
MAT-POS-4223bc15-2
0.667
PET-UNK-7f7e354d-5
0.612
PET-UNK-b38839dc-9
0.612
PET-UNK-b1ef24dc-29
0.612
PET-UNK-b1ef24dc-31
0.612
PET-UNK-19e211a9-5
0.611
PET-UNK-b1ef24dc-32
0.606
PET-UNK-f4e47ebd-12
0.590
PET-UNK-b1ef24dc-30
0.590
MAT-POS-5cd9ea36-19
0.589
MAT-POS-5cd9ea36-16
0.583
MAT-POS-5cd9ea36-22
0.575
MAT-POS-5cd9ea36-20
0.574
PET-UNK-f4e47ebd-11
0.570
EDJ-MED-ee742daa-4
0.567
EDJ-MED-e18764cb-3
0.566
MAT-POS-af1eef35-2
0.566
MAT-POS-51135489-1
0.566
PET-UNK-b38839dc-26
0.562
MAT-POS-5cd9ea36-23
0.554
PET-UNK-03fd2068-3
0.552
EDJ-MED-ede277f6-1
0.552
EDJ-MED-ede277f6-2
0.552
MAT-POS-5cd9ea36-18
0.549
PET-UNK-b38839dc-5
0.547
FRA-DIA-6238d354-2
0.547
PET-UNK-03fd2068-4
0.542
BEN-DND-32596b04-4
0.539
MAT-POS-5cd9ea36-21
0.539
EDJ-MED-670ad2ee-9
0.537
EDJ-MED-670ad2ee-10
0.537
EDJ-MED-841e0cf0-7
0.537
MAT-POS-dd3ad2b5-4
0.533
MAT-POS-24589f88-2
0.533
PET-UNK-f4e47ebd-10
0.533
MAT-POS-24589f88-3
0.533
PET-UNK-ff046148-4
0.531
PET-UNK-19e211a9-6
0.529
PET-UNK-b38839dc-14
0.528
EDJ-MED-be9e6f63-1
0.525
PET-UNK-f4e47ebd-9
0.523
EDJ-MED-841e0cf0-5
0.523
PET-UNK-b38839dc-17
0.523
EDJ-MED-670ad2ee-5
0.523
EDJ-MED-670ad2ee-6
0.523
EDJ-MED-1981ceba-3
0.522
PET-UNK-19e211a9-9
0.521
MAT-POS-4223bc15-1
0.519
MAT-POS-4223bc15-6
0.519
PET-UNK-af70882d-3
0.518
PET-UNK-af70882d-4
0.518
MAT-POS-4223bc15-11
0.518
MAT-POS-4223bc15-4
0.518
PET-UNK-19e211a9-7
0.517
PET-UNK-19e211a9-8
0.517
PET-UNK-d61f3ea6-2
0.514
PET-UNK-b38839dc-23
0.513
EDJ-MED-be9e6f63-4
0.513
EDJ-MED-7889e8da-4
0.513
EDJ-MED-4f4dd660-6
0.512
MAT-POS-81ae2990-6
0.508
PET-UNK-19e211a9-10
0.508
MAT-POS-78ab8081-6
0.508
EDJ-MED-378a25ea-8
0.508
MAT-POS-4223bc15-3
0.505
EDJ-MED-1981ceba-2
0.505
BEN-DND-32596b04-7
0.505
ANN-CHE-e1757302-2
0.504
ALF-EVA-0e90125c-4
0.504
EDJ-MED-378a25ea-7
0.504
MAT-POS-22373164-1
0.504
MAT-POS-5cd9ea36-17
0.500
MAT-POS-78ab8081-2
0.500
MAT-POS-4223bc15-5
0.500
PET-UNK-c6bcc80b-1
0.496
PET-UNK-c6bcc80b-8
0.496
EDJ-MED-7889e8da-6
0.496
EDJ-MED-378a25ea-9
0.496
ALP-POS-6f6ae286-6
0.496
BEN-DND-f06bfa8e-3
0.496
EDJ-MED-76744c27-2
0.496
EDJ-MED-76744c27-7
0.496
MAT-POS-5cd9ea36-12
0.496
MAT-POS-c88128cb-1
0.496
MAT-POS-81ae2990-3
0.496
EDJ-MED-1981ceba-5
0.496
BEN-DND-32596b04-2
0.496
BEN-DND-32596b04-8
0.496
PET-UNK-d61f3ea6-1
0.496
MAT-POS-4223bc15-29
0.496
MAT-POS-5cd9ea36-4
0.496
MAT-POS-4223bc15-13
0.495
BRU-THA-98e973b9-1
0.495
BRU-THA-d60fe444-1
0.495