Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)C1(CCNS(C)(=O)=O)CCCCC1 |
MW: | 339.16 |
Fraction sp3: | 0.62 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 88.16 |
cLogP: | 2.22 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
Hetero_hetero
MAT-POS-590ac91e-3
0.434
SAD-SAT-7d5528d9-4
0.427
SIM-DEM-f31d0e65-1
0.427
NAU-LAT-3f5f3993-10
0.425
IND-SYN-2c708b29-2
0.422
MAT-POS-590ac91e-9
0.413
CHR-SOS-e960e883-4
0.413
MAK-UNK-6ca90168-26
0.412
DRE-WAB-eb790b7a-1
0.410
PED-UNI-5b7f1100-1
0.410
DAN-RED-da448e80-1
0.410
PED-UNI-8d53fd73-1
0.410
MAT-POS-590ac91e-22
0.408
ALE-HEI-f28a35b5-6
0.408
TRY-UNI-714a760b-10
0.408
EDG-MED-0da5ad92-4
0.408
AAR-POS-d2a4d1df-3
0.406
MAK-UNK-6435e6c2-8
0.406
MAT-POS-590ac91e-27
0.405
DAN-RED-da448e80-17
0.405
MAT-POS-590ac91e-4
0.403
MAT-POS-590ac91e-24
0.403
JAN-GHE-83b26c96-20
0.402
EDG-MED-0da5ad92-11
0.402
DAN-RED-da448e80-5
0.400
ASH-UNK-40b46b30-8
0.400
MAT-POS-590ac91e-6
0.400
MAT-POS-590ac91e-29
0.400
DAN-RED-da448e80-9
0.400
MAT-POS-590ac91e-15
0.397
TRY-UNI-1fd04853-3
0.396
WAR-XCH-e55cba98-11
0.395
MAT-POS-590ac91e-5
0.395
WAR-XCH-e55cba98-9
0.393
DAR-DIA-0cde14eb-1
0.393
DAN-RED-da448e80-13
0.391
BEN-DND-93268d01-11
0.390
SIM-DEM-163f01e0-1
0.389
PET-SGC-d0156db4-2
0.388
CHR-SOS-1f323c23-6
0.386
CHR-SOS-1f323c23-3
0.385
CHR-SOS-1f323c23-1
0.384
ERI-UCB-5b47150d-4
0.384
BEN-DND-09b88bf4-3
0.383
NAU-LAT-3f5f3993-5
0.383
BEN-DND-6de5dfa0-3
0.383
MAR-TRE-67513f76-79
0.381
RAL-THA-6b94ceba-12
0.379
PET-SGC-d5b502b1-1
0.379
WIL-WAB-6ef46ddb-1
0.379
CHR-SOS-1f323c23-2
0.379
ALE-HEI-f28a35b5-12
0.378
ALE-HEI-f28a35b5-13
0.378
BEN-DND-22e6b372-3
0.378
MAT-POS-590ac91e-25
0.378
MAK-UNK-6ca90168-27
0.377
ALE-HEI-f28a35b5-7
0.377
TRY-UNI-714a760b-11
0.377
ERI-UCB-5b47150d-6
0.377
CHA-KIN-f512e507-2
0.376
CHR-SOS-e960e883-5
0.376
ASH-SAT-43770c7d-9
0.375
EDJ-MED-3c65e9ce-4
0.375
TRY-UNI-714a760b-6
0.375
GAB-REV-70cc3ca5-20
0.375
NAU-LAT-0543f7f2-2
0.372
DAR-DIA-0cde14eb-2
0.372
BAR-COM-0f94fc3d-25
0.372
MAK-UNK-372b0df5-3
0.370
JAN-GHE-83b26c96-12
0.370
CHA-KIN-f512e507-1
0.370
CHR-SOS-e960e883-6
0.370
MAK-UNK-7264f48c-3
0.370
CHA-KIN-f512e507-3
0.368
JAN-GHE-83b26c96-11
0.368
VLA-UCB-00f2c2b3-1
0.368
DAR-DIA-0cde14eb-4
0.368
DAR-DIA-0cde14eb-3
0.368
NAU-LAT-0543f7f2-4
0.367
MAT-POS-590ac91e-10
0.367
CHR-SOS-6c45c019-3
0.367
DAR-DIA-0cde14eb-5
0.365
DAR-DIA-0cde14eb-79
0.365
GAB-REV-70cc3ca5-3
0.365
EDJ-MED-e58735b6-3
0.365
MAK-UNK-372b0df5-1
0.364
MAT-POS-590ac91e-19
0.364
CHR-SOS-6c45c019-2
0.363
MAT-POS-590ac91e-8
0.362
TRY-UNI-714a760b-16
0.362
MAT-POS-590ac91e-21
0.362
CHR-SOS-1f323c23-4
0.360
DAR-DIA-0cde14eb-61
0.360
MAT-POS-590ac91e-11
0.360
MAT-POS-590ac91e-7
0.359
EDJ-MED-e58735b6-2
0.358
BEN-DND-93268d01-5
0.358
ALP-POS-95b75b4d-2
0.358
JAN-GHE-83b26c96-13
0.358
CHR-SOS-1f323c23-5
0.358