Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)N(CCCS(=O)(=O)NCc1ccn[nH]1)C1CCCCC1 |
MW: | 434.566 |
Fraction sp3: | 0.55 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 9 |
TPSA: | 120.08 |
cLogP: | 2.78942 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
Hetero_hetero
CHA-KIN-cd2ef30b-3
0.800
CHA-KIN-cd2ef30b-1
0.685
CHA-KIN-f512e507-1
0.604
CHA-KIN-f512e507-2
0.591
CHA-KIN-f512e507-3
0.579
CHA-KIN-04ae69e8-1
0.525
CHA-KIN-6d173bb5-1
0.432
CHA-KIN-6d173bb5-2
0.393
MAT-POS-590ac91e-17
0.387
EDG-MED-0da5ad92-4
0.380
ALE-HEI-f28a35b5-6
0.380
TRY-UNI-714a760b-10
0.380
TRY-UNI-714a760b-11
0.370
ALE-HEI-f28a35b5-7
0.370
MAT-POS-136e7878-1
0.355
MAR-UCB-ad2ff052-3
0.347
DAR-DIA-1d7f034a-1
0.347
TRY-UNI-714a760b-16
0.344
MAT-POS-136e7878-2
0.339
NAU-LAT-3f5f3993-1
0.330
MAT-POS-590ac91e-19
0.330
MAT-POS-53907a1c-2
0.328
MAR-UCB-ad2ff052-1
0.327
MAT-POS-590ac91e-7
0.326
DAN-RED-da448e80-5
0.324
MAT-POS-590ac91e-12
0.323
MAT-POS-590ac91e-22
0.323
EDG-MED-0da5ad92-9
0.320
MAR-UCB-ad2ff052-2
0.319
RAL-THA-6b94ceba-4
0.316
DAN-RED-da448e80-17
0.314
ASH-UNK-40b46b30-11
0.314
NAU-LAT-3f5f3993-2
0.313
GAB-REV-70cc3ca5-1
0.312
MAT-POS-590ac91e-5
0.312
ERI-UCB-5b47150d-6
0.312
ALE-HEI-f28a35b5-12
0.312
MAK-UNK-372b0df5-3
0.310
ALP-POS-3fc1724e-5
0.310
AAR-POS-d2a4d1df-3
0.310
MAK-UNK-6435e6c2-8
0.310
BEN-DND-93268d01-11
0.309
MAT-POS-590ac91e-23
0.309
MAK-UNK-372b0df5-1
0.308
BEN-DND-6de5dfa0-15
0.308
ASH-SAT-43770c7d-9
0.308
MIC-UNK-ea979c74-4
0.308
BEN-DND-09b88bf4-3
0.307
BEN-DND-6de5dfa0-3
0.307
NAU-LAT-3f5f3993-5
0.307
MAK-UNK-6ca90168-27
0.307
EDJ-MED-c9f55a56-1
0.306
MAT-POS-590ac91e-10
0.306
DAN-RED-da448e80-13
0.306
PED-UNI-5b7f1100-1
0.305
PED-UNI-8d53fd73-1
0.305
DAN-RED-da448e80-1
0.305
DRE-WAB-eb790b7a-1
0.305
BEN-DND-22e6b372-3
0.304
MAT-POS-590ac91e-25
0.304
MAK-UNK-6ca90168-26
0.303
MAT-POS-590ac91e-18
0.302
RAL-THA-901e9a10-5
0.301
EDJ-MED-3c65e9ce-4
0.300
TRY-UNI-bbd40bb4-6
0.300
DAN-RED-da448e80-9
0.299
RAL-THA-901e9a10-2
0.298
MAT-POS-590ac91e-11
0.298
ALP-POS-3fc1724e-7
0.298
MAT-POS-590ac91e-14
0.297
EDG-MED-0da5ad92-3
0.297
EDG-MED-0da5ad92-19
0.297
BEN-DND-22e6b372-4
0.297
BEN-DND-93268d01-9
0.296
BEN-DND-09b88bf4-5
0.296
GAB-REV-70cc3ca5-13
0.294
MAT-POS-590ac91e-29
0.294
BEN-DND-6de5dfa0-5
0.294
MAT-POS-590ac91e-1
0.293
ERI-UCB-5b47150d-1
0.293
MAT-POS-590ac91e-2
0.293
CHR-SOS-e960e883-4
0.293
MAT-POS-590ac91e-4
0.293
MAT-POS-590ac91e-24
0.293
JAN-GHE-f4ca5a00-15
0.293
ALP-POS-95b75b4d-4
0.292
DAR-DIA-0cde14eb-64
0.292
SIM-DEM-f31d0e65-1
0.292
RAL-THA-901e9a10-1
0.292
ASH-UNK-40b46b30-8
0.292
ALE-HEI-f28a35b5-17
0.292
SCO-VAN-260d9628-1
0.292
ALE-HEI-f28a35b5-11
0.290
EDJ-MED-3c65e9ce-1
0.290
MAT-POS-590ac91e-15
0.290
MAT-POS-590ac91e-8
0.290
MAT-POS-590ac91e-21
0.290
BEN-DND-93268d01-8
0.290
VLA-UCB-00f2c2b3-2
0.290
RAL-THA-901e9a10-6
0.289