Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)CC1(c2cccc(S(N)(=O)=O)c2)CCC1 |
MW: | 359.451 |
Fraction sp3: | 0.33 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 102.15 |
cLogP: | 2.48792 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
CHR-SOS-e960e883-5
0.943
CHR-SOS-e960e883-4
0.917
CHR-SOS-e960e883-3
0.633
CHR-SOS-e960e883-2
0.598
CHR-SOS-e960e883-1
0.583
EDJ-MED-e58735b6-3
0.531
CHR-SOS-1f323c23-8
0.495
MAT-POS-590ac91e-6
0.487
MIH-UNI-6b9ca91a-3
0.484
MAT-POS-590ac91e-15
0.481
MAT-POS-590ac91e-9
0.481
CHR-SOS-1f323c23-5
0.473
CHR-SOS-1f323c23-11
0.473
CHR-SOS-1f323c23-2
0.463
GAB-REV-70cc3ca5-3
0.459
GAB-REV-70cc3ca5-20
0.457
PET-SGC-83d43576-1
0.449
PET-SGC-d0fd10df-1
0.441
MAT-POS-590ac91e-25
0.440
DAR-DIA-0cde14eb-1
0.437
RAL-THA-6b94ceba-13
0.432
DAR-DIA-0cde14eb-2
0.432
DAR-DIA-0cde14eb-3
0.427
DAR-DIA-0cde14eb-4
0.427
WAR-XCH-72a8c209-2
0.426
MAK-UNK-6ca90168-26
0.425
PED-UNI-292b67d6-1
0.420
PET-SGC-05cff2e1-1
0.420
MAT-POS-590ac91e-24
0.415
DAR-DIA-0cde14eb-14
0.413
ASH-UNK-40b46b30-10
0.411
ALE-HEI-f28a35b5-12
0.410
HAR-NEW-e34cb1ae-4
0.410
SIM-DEM-2d7ee9fd-1
0.409
CHR-SOS-1f323c23-9
0.409
ASH-SAT-43770c7d-9
0.408
WAR-XCH-e55cba98-11
0.407
NAU-LAT-0543f7f2-8
0.406
ALE-HEI-f28a35b5-6
0.402
EDG-MED-0da5ad92-4
0.402
TRY-UNI-714a760b-10
0.402
BEN-DND-93268d01-4
0.400
MAK-UNK-372b0df5-3
0.400
EDG-MED-0da5ad92-11
0.398
JAN-GHE-83b26c96-20
0.398
CHR-SOS-363cfb78-6
0.396
PET-SGC-6e7c5dc0-1
0.395
DAR-DIA-0cde14eb-5
0.393
MAT-POS-590ac91e-17
0.393
DAR-DIA-0cde14eb-10
0.391
ALP-POS-95b75b4d-4
0.389
ANN-UNI-98d2bf15-5
0.389
DAR-DIA-0cde14eb-6
0.389
DAR-DIA-0cde14eb-7
0.389
DAR-DIA-0cde14eb-8
0.389
EDJ-MED-e58735b6-2
0.388
JAN-GHE-83b26c96-13
0.388
ALP-POS-95b75b4d-2
0.388
TRY-UNI-714a760b-6
0.388
DAR-DIA-0cde14eb-13
0.387
DAR-DIA-0cde14eb-11
0.387
DAR-DIA-0cde14eb-12
0.387
CHR-SOS-1f323c23-12
0.387
ANN-UNI-98d2bf15-2
0.386
ALP-POS-f13221e1-4
0.386
BEN-DND-93268d01-11
0.386
MAT-POS-590ac91e-23
0.386
BAR-COM-0f94fc3d-25
0.385
JAN-GHE-83b26c96-12
0.384
ALP-POS-95b75b4d-1
0.384
NAU-LAT-0543f7f2-6
0.383
TRY-UNI-714a760b-5
0.383
BEN-DND-93268d01-6
0.382
CHR-SOS-1f323c23-3
0.381
ALE-HEI-f28a35b5-10
0.381
MAK-UNK-372b0df5-2
0.380
RAL-THA-6b94ceba-15
0.380
DAR-DIA-0cde14eb-9
0.380
EDG-MED-0da5ad92-9
0.379
BEN-DND-09b88bf4-3
0.379
BEN-DND-6de5dfa0-3
0.379
NAU-LAT-3f5f3993-5
0.379
DAR-DIA-0cde14eb-78
0.378
DAR-DIA-0cde14eb-16
0.378
ANN-UNI-98d2bf15-1
0.376
JOH-UNI-abfda500-6
0.376
EDG-MED-0da5ad92-8
0.376
TRY-UNI-2eddb1ff-2
0.376
PET-SGC-d5b502b1-1
0.376
WIL-WAB-6ef46ddb-1
0.376
RAL-THA-6b94ceba-14
0.376
EDJ-MED-e58735b6-1
0.375
DAR-DIA-0cde14eb-15
0.375
BEN-DND-22e6b372-3
0.375
MAT-POS-590ac91e-11
0.375
DAR-DIA-0cde14eb-61
0.374
MAT-POS-590ac91e-7
0.373
SIM-DEM-163f01e0-1
0.373
NAU-LAT-0543f7f2-7
0.372
WIL-MOD-03b86a88-6
0.372