Molecular Properties | |
SMILES: | CS(=O)(=O)Nc1ccc2c(NC(=O)[C@@H]3CN(Cc4nnco4)C(=O)c4ccc(Cl)cc43)cncc2c1 |
MW: | 526.08 |
Fraction sp3: | 0.17 |
HBA: | 8 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 147.39 |
cLogP: | 3.02 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
PET-UNK-3324058f-8
1.000
PET-UNK-3324058f-3
0.804
PET-UNK-3324058f-7
0.804
PET-UNK-3324058f-2
0.796
PET-UNK-3324058f-6
0.796
PET-UNK-c671f938-4
0.748
PET-UNK-c671f938-8
0.748
PET-UNK-3324058f-1
0.736
PET-UNK-3324058f-5
0.736
PET-UNK-37251634-11
0.716
PET-UNK-37251634-3
0.716
MAT-POS-b4d6b7fc-2
0.705
EDJ-MED-41558c53-6
0.595
PET-UNK-c671f938-3
0.591
PET-UNK-c671f938-7
0.591
EDJ-MED-41558c53-5
0.581
EDJ-MED-41558c53-10
0.578
EDJ-MED-41558c53-7
0.578
PET-UNK-37251634-6
0.571
PET-UNK-37251634-14
0.571
EDJ-MED-41558c53-12
0.568
PET-UNK-c671f938-2
0.568
PET-UNK-c671f938-6
0.568
EDJ-MED-41558c53-14
0.567
EDJ-MED-41558c53-8
0.562
EDJ-MED-41558c53-9
0.559
EDJ-MED-0186a59b-7
0.558
MAT-POS-2e8b2191-12
0.558
MAT-POS-2e8b2191-11
0.557
TET-ENA-382364b7-1
0.553
EDJ-MED-41558c53-11
0.553
EDJ-MED-e69ed63d-5
0.552
EDJ-MED-d165ed91-3
0.552
EDJ-MED-c4e42105-1
0.551
EDJ-MED-d165ed91-4
0.549
EDJ-MED-e69ed63d-12
0.549
EDJ-MED-c99b2211-4
0.549
EDJ-MED-e69ed63d-8
0.545
EDJ-MED-c4e42105-2
0.544
EDJ-MED-0186a59b-6
0.543
EDJ-MED-41558c53-13
0.543
EDJ-MED-eb111c00-4
0.543
LUO-POS-edefcc0e-1
0.543
LUO-POS-74179f4f-1
0.543
PET-UNK-d62a9a75-2
0.541
PET-UNK-d62a9a75-4
0.541
EDJ-MED-e69ed63d-2
0.540
EDJ-MED-e69ed63d-4
0.536
EDJ-MED-e69ed63d-16
0.532
EDJ-MED-e69ed63d-14
0.532
EDJ-MED-c99b2211-3
0.532
PET-UNK-37251634-13
0.528
PET-UNK-37251634-5
0.528
PET-UNK-d62a9a75-1
0.528
PET-UNK-d62a9a75-3
0.528
EDJ-MED-e69ed63d-10
0.528
PET-UNK-c671f938-1
0.525
PET-UNK-c671f938-5
0.525
PET-UNK-37251634-9
0.525
PET-UNK-37251634-1
0.525
EDG-MED-e300b289-3
0.525
EDJ-MED-e69ed63d-18
0.523
PET-UNK-37251634-12
0.520
PET-UNK-37251634-4
0.520
MAT-POS-b4d6b7fc-1
0.520
EDG-MED-e300b289-2
0.516
EDJ-MED-cc48ee33-6
0.516
EDG-MED-f9979214-1
0.513
ALP-POS-b3e0acc5-1
0.512
EDG-MED-e300b289-1
0.512
MAT-POS-b4d6b7fc-4
0.512
PET-UNK-f860268d-5
0.509
PET-UNK-f860268d-2
0.509
MAT-POS-c7726e07-1
0.508
MAT-POS-e119ab4f-1
0.508
MAT-POS-c7726e07-2
0.508
EDJ-MED-0186a59b-5
0.508
PET-UNK-37251634-2
0.508
PET-UNK-37251634-10
0.508
MAT-POS-c7726e07-8
0.508
EDJ-MED-378a25ea-25
0.508
MAT-POS-c7726e07-7
0.508
EDJ-MED-be9e6f63-3
0.508
PET-UNK-4d432d33-2
0.504
PET-UNK-4d432d33-6
0.504
PET-UNK-37251634-16
0.500
PET-UNK-c6bcc80b-10
0.500
PET-UNK-37251634-8
0.500
JOH-UNI-d2a12aa9-2
0.500
PET-UNK-c6bcc80b-3
0.500
EDJ-MED-e69ed63d-6
0.496
PET-UNK-37251634-7
0.496
EDJ-MED-e69ed63d-7
0.496
PET-UNK-37251634-15
0.496
EDJ-MED-e69ed63d-11
0.496
PET-UNK-c7ac4d9e-1
0.496
PET-UNK-c7ac4d9e-2
0.496
RAL-THA-5e0a6f1a-1
0.496
MIC-UNK-482af05e-4
0.496
JOH-UNI-d2a12aa9-4
0.492