Molecular Properties | |
SMILES: | CNS(=O)(=O)N1CC(C(=O)Nc2cnccc2C(F)(F)F)c2cc(Cl)ccc2C1=O |
MW: | 462.04 |
Fraction sp3: | 0.24 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 108.47 |
cLogP: | 2.4 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
high halogen content (>3)
Hetero_hetero
EDJ-MED-343bb62d-1
0.649
MAT-POS-acfe5bae-3
0.606
EDJ-MED-827e7cb4-2
0.604
EDJ-MED-343bb62d-3
0.598
EDJ-MED-ee742daa-4
0.545
EDJ-MED-343bb62d-4
0.474
EDJ-MED-0047eae5-1
0.472
EDJ-MED-0047eae5-2
0.455
EDJ-MED-41558c53-2
0.435
EDJ-MED-d165ed91-1
0.435
EDJ-MED-827e7cb4-9
0.431
EDJ-MED-41558c53-1
0.427
ALP-POS-c56c1477-3
0.424
PET-UNK-8f269638-1
0.422
PET-UNK-8f269638-2
0.422
EDJ-MED-c4e42105-3
0.420
EDJ-MED-968bafd9-1
0.420
EDJ-MED-43f8f7d6-1
0.420
LUO-POS-3f66b338-1
0.420
EDJ-MED-12c4873b-4
0.420
EDJ-MED-968bafd9-2
0.418
PET-UNK-e9bc7c59-5
0.417
PET-UNK-c671f938-3
0.417
PET-UNK-c671f938-7
0.417
TET-ENA-df1c4375-1
0.413
MAT-POS-acfe5bae-4
0.413
EDJ-MED-ee742daa-2
0.412
EDJ-MED-d165ed91-6
0.412
EDJ-MED-41558c53-10
0.405
PET-UNK-c671f938-4
0.403
PET-UNK-c671f938-8
0.403
PET-UNK-c671f938-2
0.400
EDJ-MED-d165ed91-5
0.400
PET-UNK-c671f938-6
0.400
JOH-UNI-d2a12aa9-2
0.398
EDJ-MED-ce467fd5-1
0.398
EDJ-MED-827e7cb4-3
0.398
PET-UNK-e9bc7c59-6
0.398
EDJ-MED-41558c53-12
0.398
MIC-UNK-91acba05-2
0.398
EDJ-MED-eb111c00-1
0.398
MAT-POS-13080fc6-4
0.397
MAT-POS-e119ab4f-2
0.397
MAT-POS-c7726e07-3
0.397
MAT-POS-c7726e07-4
0.397
EDJ-MED-eb111c00-4
0.395
EDJ-MED-41558c53-7
0.393
EDJ-MED-75baa495-3
0.393
PET-UNK-4d432d33-2
0.393
PET-UNK-4d432d33-6
0.393
EDJ-MED-0186a59b-7
0.392
MAT-POS-2e8b2191-12
0.392
PET-UNK-c671f938-1
0.391
PET-UNK-c671f938-5
0.391
EDJ-MED-41558c53-9
0.391
PET-UNK-e9bc7c59-4
0.390
PET-UNK-4d432d33-5
0.389
EDJ-MED-41558c53-11
0.389
PET-UNK-fe31e24a-6
0.389
PET-UNK-4d432d33-1
0.389
EDJ-MED-e69ed63d-18
0.389
EDJ-MED-12c4873b-8
0.388
RAL-THA-8f106089-1
0.388
RAL-THA-8f106089-2
0.388
EDJ-MED-43f8f7d6-8
0.388
PET-UNK-c6bcc80b-3
0.387
PET-UNK-c6bcc80b-10
0.387
PET-UNK-fe31e24a-5
0.386
MIC-UNK-482af05e-4
0.386
EDJ-MED-d165ed91-2
0.385
EDJ-MED-41558c53-4
0.385
EDJ-MED-e69ed63d-12
0.385
EDJ-MED-c99b2211-4
0.385
EDJ-MED-d165ed91-4
0.385
EDJ-MED-41558c53-8
0.385
EDJ-MED-75baa495-2
0.383
MAT-POS-97ec4bd1-4
0.383
MAT-POS-a54ce14d-2
0.383
MAT-POS-acfe5bae-2
0.383
MAT-POS-a54ce14d-3
0.383
EDJ-MED-0186a59b-6
0.383
LUO-POS-edefcc0e-1
0.383
MIC-UNK-482af05e-3
0.383
LUO-POS-74179f4f-1
0.383
EDJ-MED-015fb6b4-2
0.383
MAT-POS-2e8b2191-11
0.382
ALP-POS-b3e0acc5-1
0.381
JOH-UNI-6b98e24c-2
0.381
JOH-UNI-d2a12aa9-4
0.381
MAT-POS-b4d6b7fc-2
0.379
MAT-POS-e119ab4f-1
0.378
EDJ-MED-0186a59b-5
0.378
MAT-POS-c7726e07-2
0.378
MAT-POS-c7726e07-1
0.378
MAT-POS-13080fc6-2
0.377
EDJ-MED-41558c53-14
0.377
EDJ-MED-12c4873b-6
0.376
RAL-THA-8f106089-4
0.376
MAT-POS-e2d70d27-1
0.376
EDJ-MED-43f8f7d6-7
0.376