Molecular Properties | |
SMILES: | CS(=O)(=O)c1ccc2c(NC(=O)C3CN(C4CNC(=O)C4)C(=O)c4ccc(Cl)cc43)cncc2c1 |
MW: | 512.09 |
Fraction sp3: | 0.25 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 125.54 |
cLogP: | 2.36 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAT-POS-2e8b2191-12
EDJ-MED-d165ed91-5
0.712
EDJ-MED-12c4873b-8
0.710
EDJ-MED-43f8f7d6-8
0.710
RAL-THA-8f106089-1
0.710
RAL-THA-8f106089-2
0.710
PET-UNK-c671f938-7
0.696
PET-UNK-c671f938-3
0.696
EDJ-MED-41558c53-10
0.663
EDJ-MED-d165ed91-1
0.651
EDJ-MED-41558c53-2
0.651
EDJ-MED-41558c53-12
0.651
EDJ-MED-41558c53-14
0.648
EDJ-MED-41558c53-4
0.642
EDJ-MED-d165ed91-2
0.642
EDJ-MED-c99b2211-4
0.642
EDJ-MED-e69ed63d-12
0.642
EDJ-MED-d165ed91-4
0.642
EDJ-MED-41558c53-8
0.642
MAT-POS-2e8b2191-12
0.639
EDJ-MED-0186a59b-7
0.639
EDJ-MED-e69ed63d-8
0.636
EDJ-MED-e69ed63d-14
0.634
EDJ-MED-e69ed63d-16
0.634
EDJ-MED-968bafd9-2
0.619
EDJ-MED-41558c53-6
0.619
PET-UNK-3324058f-3
0.619
EDJ-MED-c99b2211-3
0.619
PET-UNK-3324058f-7
0.619
EDJ-MED-e69ed63d-2
0.616
EDJ-MED-e69ed63d-4
0.611
EDJ-MED-e69ed63d-18
0.609
EDJ-MED-d165ed91-3
0.600
EDJ-MED-e69ed63d-10
0.600
EDJ-MED-e69ed63d-5
0.600
EDJ-MED-f9b78f78-1
0.542
PET-UNK-c671f938-4
0.539
PET-UNK-c671f938-8
0.539
EDJ-MED-827e7cb4-2
0.536
PET-UNK-c671f938-2
0.533
PET-UNK-c671f938-6
0.533
EDJ-MED-41558c53-7
0.531
EDJ-MED-0186a59b-3
0.526
EDJ-MED-7889e8da-5
0.526
EDJ-MED-378a25ea-9
0.521
EDJ-MED-7889e8da-6
0.521
EDG-MED-ee636701-1
0.517
MAT-POS-5c19d660-1
0.517
MAT-POS-7ddaf7de-2
0.514
ERI-UCB-8d4e5055-3
0.514
EDJ-MED-41558c53-9
0.509
EDJ-MED-41558c53-1
0.505
EDJ-MED-41558c53-11
0.505
EDJ-MED-93390d0c-2
0.505
PET-UNK-c671f938-1
0.504
PET-UNK-c671f938-5
0.504
PET-UNK-e9bc7c59-5
0.504
EDJ-MED-ede277f6-6
0.504
EDJ-MED-ede277f6-8
0.504
EDJ-MED-ede277f6-12
0.500
EDJ-MED-ede277f6-2
0.500
EDJ-MED-41558c53-3
0.500
MAT-POS-b4d6b7fc-2
0.496
EDG-MED-e300b289-2
0.496
EDJ-MED-ce467fd5-1
0.496
EDJ-MED-827e7cb4-3
0.496
EDG-MED-9fc99cca-3
0.496
MAT-POS-acfe5bae-3
0.496
EDJ-MED-0186a59b-6
0.496
EDJ-MED-41558c53-13
0.496
LUO-POS-edefcc0e-1
0.496
LUO-POS-74179f4f-1
0.496
EDJ-MED-0047eae5-1
0.495
PET-UNK-3324058f-8
0.492
PET-UNK-3324058f-4
0.492
EDG-MED-e300b289-3
0.492
EDG-MED-e300b289-1
0.491
EDJ-MED-e69ed63d-11
0.487
EDG-MED-9fc99cca-4
0.487
RAL-THA-8f106089-4
0.487
EDJ-MED-43f8f7d6-7
0.487
RAL-THA-8f106089-3
0.487
EDJ-MED-12c4873b-6
0.487
PET-UNK-3324058f-6
0.483
PET-UNK-3324058f-2
0.483
EDJ-MED-41558c53-5
0.483
EDJ-MED-eb111c00-4
0.482
MAT-POS-b4d6b7fc-4
0.480
BEN-DND-f6031113-13
0.479
EDJ-MED-827e7cb4-1
0.478
EDJ-MED-eb111c00-1
0.477
MIC-UNK-91acba05-2
0.477
EDJ-MED-827e7cb4-9
0.476
EDJ-MED-e69ed63d-13
0.475
EDJ-MED-e69ed63d-15
0.475
EDJ-MED-e69ed63d-7
0.475
EDJ-MED-0186a59b-5
0.475
MAT-POS-e119ab4f-1
0.475
MAT-POS-c7726e07-1
0.475
MAT-POS-c7726e07-2
0.475
BEN-DND-f6031113-19
0.471