Molecular Properties | |
SMILES: | CNC(=O)C(C)(C)N1CC(C(=O)Nc2cncc3ccc(NS(C)(=O)=O)cc23)c2cc(Cl)ccc2C1=O |
MW: | 543.13 |
Fraction sp3: | 0.28 |
HBA: | 6 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 137.57 |
cLogP: | 2.96 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MAT-POS-2e8b2191-11
MAT-POS-2e8b2191-11
0.708
EDJ-MED-c4e42105-2
0.688
EDJ-MED-c4e42105-4
0.688
LUO-POS-3f66b338-1
0.683
EDJ-MED-12c4873b-4
0.683
EDJ-MED-43f8f7d6-1
0.683
EDJ-MED-41558c53-1
0.680
EDJ-MED-d165ed91-1
0.660
EDJ-MED-41558c53-2
0.660
EDJ-MED-c4e42105-1
0.635
EDJ-MED-d9f3798e-1
0.607
MAT-POS-2e8b2191-10
0.579
MAT-POS-b4d6b7fc-2
0.556
PET-UNK-c671f938-4
0.548
PET-UNK-c671f938-8
0.548
EDJ-MED-827e7cb4-2
0.545
EDJ-MED-378a25ea-26
0.542
MAT-POS-e36d57d9-1
0.542
MAT-POS-2e8b2191-9
0.542
EDJ-MED-d9f3798e-3
0.536
PET-UNK-329a9ce9-1
0.536
EDJ-MED-d9f3798e-2
0.531
EDJ-MED-ce467fd5-1
0.530
EDJ-MED-827e7cb4-3
0.530
MAT-POS-97ec4bd1-4
0.526
PET-UNK-e9bc7c59-4
0.509
MAT-POS-c7726e07-3
0.504
MAT-POS-c7726e07-4
0.504
MAT-POS-e119ab4f-2
0.504
PET-UNK-fe31e24a-6
0.500
PET-UNK-e9bc7c59-5
0.500
MAT-POS-37ffad05-1
0.500
JOH-UNI-d2a12aa9-2
0.500
PET-UNK-c6bcc80b-3
0.500
PET-UNK-c6bcc80b-10
0.500
PET-UNK-fe31e24a-5
0.496
JOH-UNI-d2a12aa9-4
0.492
MAT-POS-acfe5bae-3
0.491
EDJ-MED-0047eae5-1
0.491
PET-UNK-3324058f-4
0.488
PET-UNK-3324058f-8
0.488
EDG-MED-9fc99cca-3
0.479
EDJ-MED-eb111c00-4
0.478
MIC-UNK-91acba05-2
0.473
EDJ-MED-eb111c00-1
0.473
EDJ-MED-827e7cb4-9
0.472
EDJ-MED-12c4873b-3
0.470
PET-UNK-e9bc7c59-6
0.467
MAT-POS-acfe5bae-2
0.466
EDJ-MED-015fb6b4-2
0.466
MAT-POS-a54ce14d-2
0.466
LUO-POS-74179f4f-1
0.466
MAT-POS-a54ce14d-3
0.466
EDJ-MED-0186a59b-6
0.466
LUO-POS-edefcc0e-1
0.466
ALP-POS-b3e0acc5-1
0.462
JOH-UNI-6b98e24c-2
0.462
EDJ-MED-41558c53-7
0.462
EDJ-MED-0047eae5-2
0.462
FRA-DIA-6238d354-2
0.461
EDJ-MED-41558c53-11
0.461
EDJ-MED-0186a59b-7
0.459
MAT-POS-2e8b2191-12
0.459
MAT-POS-419aafdb-1
0.458
MAT-POS-e2d70d27-1
0.458
MAT-POS-13080fc6-2
0.455
EDJ-MED-41558c53-12
0.455
PET-UNK-4d432d33-2
0.452
PET-UNK-4d432d33-6
0.452
PET-UNK-03fd2068-3
0.452
EDJ-MED-d165ed91-4
0.452
EDJ-MED-c99b2211-4
0.452
EDJ-MED-e69ed63d-12
0.452
LUO-POS-8701f4c8-1
0.450
EDJ-MED-12c4873b-2
0.450
EDJ-MED-43f8f7d6-2
0.450
RAL-THA-a9c31980-4
0.450
EDJ-MED-c99b2211-2
0.450
PET-UNK-c671f938-7
0.450
PET-UNK-c671f938-3
0.450
MAT-POS-419aafdb-2
0.449
JOH-UNI-d2a12aa9-1
0.449
EDJ-MED-827e7cb4-1
0.448
PET-UNK-4d432d33-1
0.448
PET-UNK-4d432d33-5
0.448
MAT-POS-b4d6b7fc-1
0.448
PET-UNK-c671f938-2
0.447
PET-UNK-c671f938-6
0.447
PET-UNK-c7ac4d9e-1
0.445
PET-UNK-c7ac4d9e-2
0.445
EDJ-MED-41558c53-3
0.445
MIC-UNK-482af05e-4
0.444
MAT-POS-c88128cb-1
0.444
PET-UNK-f860268d-2
0.443
PET-UNK-f860268d-5
0.443
EDG-MED-e300b289-2
0.443
JOH-UNI-d2a12aa9-3
0.442
MAT-POS-b4d6b7fc-4
0.441
EDJ-MED-841e0cf0-7
0.441
EDJ-MED-670ad2ee-9
0.441