Molecular Properties | |
SMILES: | CNS(=O)(=O)NCCCCN(C(=O)Nc1cnccc1C)C1CCCCC1 |
MW: | 397.545 |
Fraction sp3: | 0.67 |
HBA: | 4 |
HBD: | 3 |
Rotatable Bonds: | 9 |
TPSA: | 103.43 |
cLogP: | 2.39062 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
Long aliphatic chain
Hetero_hetero
CHA-KIN-f512e507-2
0.818
CHA-KIN-f512e507-1
0.725
CHA-KIN-cd2ef30b-1
0.615
CHA-KIN-cd2ef30b-2
0.579
CHA-KIN-cd2ef30b-3
0.571
CHA-KIN-6d173bb5-1
0.425
ALE-HEI-f28a35b5-6
0.417
EDG-MED-0da5ad92-4
0.417
TRY-UNI-714a760b-10
0.417
CHA-KIN-6d173bb5-2
0.410
ALE-HEI-f28a35b5-7
0.405
TRY-UNI-714a760b-11
0.405
MAT-POS-136e7878-1
0.396
MAT-POS-136e7878-2
0.377
TRY-UNI-714a760b-16
0.375
ASH-UNK-40b46b30-11
0.368
MAK-UNK-6ca90168-26
0.367
EDG-MED-0da5ad92-3
0.367
MAT-POS-53907a1c-2
0.364
MAT-POS-590ac91e-19
0.360
MAR-UCB-ad2ff052-3
0.360
DAR-DIA-1d7f034a-1
0.360
MAT-POS-590ac91e-5
0.356
ERI-UCB-5b47150d-6
0.356
CHA-KIN-04ae69e8-1
0.354
MAR-UCB-ad2ff052-1
0.352
MAT-POS-590ac91e-22
0.352
MIC-UNK-ea979c74-4
0.350
NAU-LAT-3f5f3993-5
0.348
BEN-DND-09b88bf4-3
0.348
BEN-DND-6de5dfa0-3
0.348
BEN-DND-6de5dfa0-15
0.347
MAT-POS-590ac91e-18
0.345
NAU-LAT-3f5f3993-1
0.343
AAR-POS-d2a4d1df-3
0.342
MAK-UNK-6435e6c2-8
0.342
ALE-HEI-f28a35b5-12
0.341
MAT-POS-590ac91e-7
0.341
MAK-UNK-6ca90168-27
0.338
MAT-POS-590ac91e-12
0.337
BEN-DND-93268d01-11
0.337
MAT-POS-590ac91e-23
0.337
EDG-MED-0da5ad92-19
0.337
EDG-MED-0da5ad92-9
0.333
MAK-UNK-372b0df5-1
0.333
ALE-HEI-f28a35b5-17
0.333
SCO-VAN-260d9628-1
0.333
MAT-POS-590ac91e-10
0.333
ALP-POS-3fc1724e-7
0.330
MAR-UCB-ad2ff052-2
0.330
MAK-UNK-7264f48c-5
0.330
NAU-LAT-0543f7f2-7
0.330
MAT-POS-590ac91e-25
0.330
MAT-POS-590ac91e-8
0.330
SAD-SAT-7d5528d9-7
0.327
MAK-UNK-7264f48c-3
0.327
DAN-RED-da448e80-17
0.327
NIR-THE-b7e8e081-2
0.326
BEN-DND-6de5dfa0-16
0.326
EDJ-MED-3c65e9ce-4
0.326
NAU-LAT-3f5f3993-2
0.326
MAT-POS-590ac91e-11
0.326
ALE-HEI-f28a35b5-13
0.326
MAT-POS-044491d2-1
0.324
DAN-RED-da448e80-5
0.323
MAK-UNK-372b0df5-3
0.323
MAT-POS-590ac91e-14
0.323
DAR-DIA-6a508060-12
0.322
MAT-POS-5d20d11c-1
0.322
MAT-POS-590ac91e-16
0.322
ERI-UCB-5b47150d-1
0.321
MAT-POS-590ac91e-2
0.321
MAT-POS-590ac91e-1
0.321
ASH-SAT-43770c7d-9
0.321
NAU-LAT-3f5f3993-10
0.320
RAL-THA-6b94ceba-16
0.320
RAL-THA-6b94ceba-12
0.320
RAL-THA-6b94ceba-14
0.320
BEN-DND-09b88bf4-8
0.320
GAB-REV-70cc3ca5-3
0.320
ALP-POS-3fc1724e-5
0.319
JAN-GHE-83b26c96-17
0.319
MAT-POS-590ac91e-29
0.319
MAT-POS-590ac91e-4
0.319
MAT-POS-590ac91e-24
0.319
DAN-RED-da448e80-1
0.316
DRE-WAB-eb790b7a-1
0.316
PED-UNI-5b7f1100-1
0.316
PED-UNI-8d53fd73-1
0.316
SIM-DEM-f31d0e65-1
0.316
BEN-DND-22e6b372-3
0.316
MAT-POS-590ac91e-15
0.315
EDJ-MED-3c65e9ce-1
0.315
MAT-POS-590ac91e-21
0.315
BEN-DND-93268d01-8
0.315
ALE-HEI-f28a35b5-11
0.315
DAR-DIA-0cde14eb-18
0.315
DAR-DIA-0cde14eb-25
0.315
MAT-POS-590ac91e-6
0.315
PET-SGC-6e7c5dc0-1
0.315