Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)CC1(c2cccc(S(N)(=O)=O)c2)CCCCC1 |
MW: | 387.505 |
Fraction sp3: | 0.4 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 102.15 |
cLogP: | 3.26812 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
CHR-SOS-e960e883-5
0.944
CHR-SOS-e960e883-6
0.917
CHR-SOS-e960e883-1
0.651
CHR-SOS-e960e883-2
0.607
CHR-SOS-e960e883-3
0.583
EDJ-MED-e58735b6-3
0.524
CHR-SOS-1f323c23-2
0.490
WAR-XCH-72a8c209-2
0.484
CHR-SOS-1f323c23-5
0.469
MAT-POS-590ac91e-6
0.463
CHR-SOS-1f323c23-8
0.458
MAT-POS-590ac91e-9
0.457
CHR-SOS-1f323c23-11
0.453
MIH-UNI-6b9ca91a-3
0.448
MAT-POS-590ac91e-15
0.440
GAB-REV-70cc3ca5-3
0.438
GAB-REV-70cc3ca5-20
0.435
WAR-XCH-e55cba98-11
0.435
DAR-DIA-0cde14eb-1
0.433
PET-SGC-83d43576-1
0.430
DAR-DIA-0cde14eb-2
0.429
DAR-DIA-0cde14eb-3
0.424
DAR-DIA-0cde14eb-4
0.424
PET-SGC-d0fd10df-1
0.423
MAT-POS-590ac91e-25
0.420
ASH-UNK-40b46b30-11
0.413
RAL-THA-6b94ceba-13
0.413
DAR-DIA-0cde14eb-14
0.411
CHR-SOS-1f323c23-3
0.408
NAU-LAT-0543f7f2-8
0.404
PET-SGC-05cff2e1-1
0.404
MAK-UNK-6ca90168-26
0.403
PED-UNI-292b67d6-1
0.402
HAR-NEW-e34cb1ae-4
0.394
ASH-UNK-40b46b30-10
0.394
ALE-HEI-f28a35b5-12
0.390
WAR-XCH-b0339bbe-5
0.389
ASH-SAT-43770c7d-9
0.388
ANN-UNI-98d2bf15-5
0.387
ALP-POS-95b75b4d-4
0.387
WAR-XCH-e55cba98-9
0.387
EDJ-MED-e58735b6-2
0.386
TRY-UNI-714a760b-6
0.386
JAN-GHE-83b26c96-13
0.386
ALP-POS-95b75b4d-2
0.386
CHR-SOS-f7373dd1-2
0.386
ANN-UNI-98d2bf15-2
0.385
JAN-GHE-83b26c96-14
0.385
DAR-DIA-0cde14eb-76
0.385
ALP-POS-95b75b4d-3
0.385
BEN-DND-93268d01-11
0.384
TRY-UNI-714a760b-10
0.384
ALE-HEI-f28a35b5-6
0.384
EDG-MED-0da5ad92-4
0.384
ALP-POS-95b75b4d-1
0.382
BEN-DND-93268d01-4
0.382
JAN-GHE-83b26c96-12
0.382
MAK-UNK-372b0df5-3
0.382
CHR-SOS-363cfb78-6
0.381
EDG-MED-0da5ad92-11
0.380
JAN-GHE-83b26c96-20
0.380
MAT-POS-590ac91e-24
0.379
VLA-UCB-00f2c2b3-1
0.379
CHR-SOS-1f323c23-9
0.378
SIM-DEM-2d7ee9fd-1
0.378
PET-SGC-6e7c5dc0-1
0.376
DAR-DIA-0cde14eb-5
0.376
DAR-DIA-0cde14eb-79
0.376
DAR-DIA-0cde14eb-78
0.376
DAR-DIA-0cde14eb-16
0.376
MAT-POS-590ac91e-17
0.375
WIL-WAB-6ef46ddb-1
0.375
PET-SGC-d5b502b1-1
0.375
DAR-DIA-0cde14eb-10
0.375
EDJ-MED-e58735b6-1
0.374
CHR-SOS-f7373dd1-1
0.374
DAR-DIA-0cde14eb-7
0.372
DAR-DIA-0cde14eb-6
0.372
DAR-DIA-0cde14eb-8
0.372
SIM-DEM-163f01e0-1
0.371
DAR-DIA-0cde14eb-13
0.371
DAR-DIA-0cde14eb-11
0.371
NAU-LAT-0543f7f2-7
0.371
CHR-SOS-1f323c23-12
0.371
DAR-DIA-0cde14eb-12
0.371
ALP-POS-f13221e1-4
0.370
BAR-COM-0f94fc3d-25
0.368
NAU-LAT-0543f7f2-6
0.367
WAR-XCH-72a8c209-1
0.367
MAK-UNK-7264f48c-3
0.366
BEN-DND-93268d01-6
0.366
TRY-UNI-714a760b-20
0.366
DAR-DIA-0cde14eb-17
0.365
DAR-DIA-0cde14eb-19
0.365
DAR-DIA-0cde14eb-18
0.365
TRY-UNI-714a760b-5
0.365
DAR-DIA-0cde14eb-77
0.365
DAR-DIA-0cde14eb-9
0.365
RAL-THA-6b94ceba-15
0.365
ALE-HEI-f28a35b5-10
0.364