Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)CC1(c2cccc(S(N)(=O)=O)c2)CCCC1 |
MW: | 373.478 |
Fraction sp3: | 0.37 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 102.15 |
cLogP: | 2.87802 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
CHR-SOS-e960e883-4
0.944
CHR-SOS-e960e883-6
0.943
CHR-SOS-e960e883-2
0.642
CHR-SOS-e960e883-1
0.607
CHR-SOS-e960e883-3
0.598
EDJ-MED-e58735b6-3
0.518
CHR-SOS-1f323c23-5
0.479
MAT-POS-590ac91e-6
0.474
MAT-POS-590ac91e-15
0.469
CHR-SOS-1f323c23-2
0.469
MAT-POS-590ac91e-9
0.468
CHR-SOS-1f323c23-8
0.468
CHR-SOS-1f323c23-11
0.462
MIH-UNI-6b9ca91a-3
0.457
GAB-REV-70cc3ca5-3
0.448
WAR-XCH-72a8c209-2
0.447
GAB-REV-70cc3ca5-20
0.446
PET-SGC-83d43576-1
0.440
PET-SGC-d0fd10df-1
0.432
MAT-POS-590ac91e-25
0.430
DAR-DIA-0cde14eb-1
0.427
DAR-DIA-0cde14eb-2
0.422
RAL-THA-6b94ceba-13
0.422
DAR-DIA-0cde14eb-14
0.419
DAR-DIA-0cde14eb-3
0.418
DAR-DIA-0cde14eb-4
0.418
ASH-SAT-43770c7d-9
0.416
HAR-NEW-e34cb1ae-4
0.415
MAK-UNK-6ca90168-26
0.413
WAR-XCH-e55cba98-11
0.413
PET-SGC-05cff2e1-1
0.412
PED-UNI-292b67d6-1
0.411
ASH-UNK-40b46b30-10
0.402
CHR-SOS-363cfb78-6
0.402
ALE-HEI-f28a35b5-12
0.400
NAU-LAT-0543f7f2-8
0.398
BEN-DND-93268d01-4
0.391
MAK-UNK-372b0df5-3
0.391
JAN-GHE-83b26c96-20
0.389
EDG-MED-0da5ad92-11
0.389
MAT-POS-590ac91e-24
0.388
CHR-SOS-1f323c23-3
0.388
DAR-DIA-0cde14eb-9
0.387
PET-SGC-6e7c5dc0-1
0.386
CHR-SOS-1f323c23-9
0.385
SIM-DEM-2d7ee9fd-1
0.385
DAR-DIA-0cde14eb-5
0.385
MAT-POS-590ac91e-17
0.384
DAR-DIA-0cde14eb-10
0.383
DAR-DIA-0cde14eb-15
0.381
ANN-UNI-98d2bf15-5
0.380
ALP-POS-95b75b4d-4
0.380
DAR-DIA-0cde14eb-6
0.380
DAR-DIA-0cde14eb-8
0.380
DAR-DIA-0cde14eb-7
0.380
JAN-GHE-83b26c96-13
0.379
ALP-POS-95b75b4d-2
0.379
TRY-UNI-714a760b-6
0.379
EDJ-MED-e58735b6-2
0.379
DAR-DIA-0cde14eb-13
0.379
CHR-SOS-1f323c23-12
0.379
DAR-DIA-0cde14eb-11
0.379
DAR-DIA-0cde14eb-12
0.379
ALP-POS-f13221e1-4
0.378
ANN-UNI-98d2bf15-2
0.378
EDG-MED-0da5ad92-4
0.376
BEN-DND-93268d01-11
0.376
TRY-UNI-714a760b-10
0.376
ALE-HEI-f28a35b5-6
0.376
BAR-COM-0f94fc3d-25
0.376
ASH-UNK-40b46b30-11
0.376
NAU-LAT-0543f7f2-6
0.375
ALP-POS-95b75b4d-1
0.375
JAN-GHE-83b26c96-12
0.375
TRY-UNI-714a760b-20
0.374
BEN-DND-93268d01-6
0.374
TRY-UNI-714a760b-5
0.373
RAL-THA-6b94ceba-15
0.372
CHR-SOS-f7373dd1-5
0.372
ALE-HEI-f28a35b5-10
0.372
BEN-DND-6de5dfa0-3
0.371
NAU-LAT-3f5f3993-5
0.371
BEN-DND-09b88bf4-3
0.371
DAR-DIA-0cde14eb-16
0.370
DAR-DIA-0cde14eb-78
0.370
GAB-REV-70cc3ca5-19
0.368
PET-SGC-d5b502b1-1
0.368
WIL-WAB-6ef46ddb-1
0.368
RAL-THA-6b94ceba-14
0.368
JOH-UNI-abfda500-6
0.368
EDG-MED-0da5ad92-8
0.368
TRY-UNI-2eddb1ff-2
0.368
ANN-UNI-98d2bf15-1
0.368
BEN-DND-22e6b372-3
0.367
EDJ-MED-e58735b6-1
0.367
MAT-POS-590ac91e-11
0.366
WAR-XCH-e55cba98-9
0.366
DAR-DIA-0cde14eb-61
0.366
SIM-DEM-163f01e0-1
0.365
YUE-FRA-7d798063-1
0.365