Molecular Properties | |
SMILES: | CN1CC(CNC(=O)C2CCOc3cc(F)c(Cl)cc32)C1 |
MW: | 312.1 |
Fraction sp3: | 0.53 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 41.57 |
cLogP: | 2.02 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAT-POS-a13804f0-2
0.462
MAT-POS-96f51285-5
0.462
MAT-POS-ec6d90b7-7
0.462
RAL-THA-05e671eb-10
0.462
EDJ-MED-611d11e7-6
0.462
BEN-DND-02317c5c-4
0.462
ALP-POS-fe871b40-9
0.462
MAT-POS-a13804f0-3
0.462
ALP-POS-d91e0300-1
0.462
PET-UNK-f4e47ebd-6
0.462
EDJ-MED-611d11e7-12
0.457
PET-UNK-f4e47ebd-5
0.457
MAT-POS-ec6d90b7-3
0.457
MAT-POS-a5ef2d74-1
0.457
PET-UNK-f4e47ebd-7
0.455
PET-UNK-f4e47ebd-8
0.455
MAT-POS-96f51285-3
0.454
MAT-POS-96f51285-4
0.454
EDJ-MED-611d11e7-3
0.454
EDJ-MED-611d11e7-9
0.454
PET-UNK-03fd2068-2
0.453
JUL-TUD-06b2044f-90
0.406
BEN-DND-d1eb1f41-17
0.386
BEN-DND-d1eb1f41-18
0.381
LON-WEI-0a73fcb8-4
0.378
BEN-DND-d1eb1f41-12
0.376
BEN-DND-d1eb1f41-11
0.366
BEN-DND-d1eb1f41-13
0.365
ALP-UNI-3735e77e-3
0.364
RAL-THA-05e671eb-11
0.364
RAL-THA-b74298ba-1
0.355
VLA-UNK-0ffe3317-2
0.354
PET-UNK-158bee2a-7
0.344
MIC-UNK-13557a72-2
0.344
ROB-UNI-6ee2df8c-1
0.343
NAU-LAT-8502cac5-10
0.340
RAL-THA-3d7a794f-4
0.340
BEN-DND-a7517465-9
0.340
BEN-DND-c852c98b-9
0.340
RAL-THA-b74298ba-2
0.337
NAU-LAT-8502cac5-11
0.333
ALP-POS-869ac754-1
0.333
MAT-POS-a2421bb6-4
0.333
RAL-THA-b74298ba-3
0.333
EDG-MED-fe7487f8-9
0.333
VLA-UNK-56836b69-4
0.333
RAL-THA-05e671eb-9
0.333
RYA-UNI-6d7114fd-1
0.333
NAU-LAT-b7d8c353-7
0.333
RAL-THA-05e671eb-2
0.333
JAG-UCB-a3ef7265-20
0.333
JAG-UCB-119787ef-1
0.333
MAT-POS-968e8d9c-1
0.333
JOH-SUS-a69c159d-7
0.330
BEN-DND-02317c5c-2
0.330
RAL-THA-b74298ba-4
0.330
RAL-THA-3d7a794f-1
0.330
JOH-UNI-1b27fa5e-7
0.330
PET-UNK-3e029fdc-1
0.330
ALP-POS-8b8a49e1-3
0.330
JAG-UCB-c61058a9-44
0.327
JOH-UNI-d0d90dc1-3
0.327
JUL-TUD-06b2044f-32
0.326
JUL-TUD-06b2044f-63
0.324
JAG-UCB-52b62a6f-14
0.324
BEN-DND-a7517465-3
0.324
JAG-UCB-52b62a6f-4
0.324
RAL-THA-3d7a794f-2
0.323
JAG-UCB-c61058a9-2
0.323
RAL-THA-3d7a794f-3
0.323
MAT-POS-a3f7f96a-2
0.323
LON-WEI-0a73fcb8-3
0.320
JAG-UCB-c61058a9-32
0.320
ALF-EVA-5b152d2f-2
0.320
NAU-LAT-8502cac5-15
0.320
NAU-LAT-8502cac5-16
0.320
JAG-UCB-c61058a9-21
0.320
JAG-UCB-c61058a9-41
0.320
ERI-UCB-9c7ec71b-3
0.320
JAG-UCB-571deb56-6
0.319
NAU-LAT-b7d8c353-6
0.318
PET-UNK-e274cad4-2
0.317
MIC-UNK-7574fcc6-2
0.317
ROB-UNI-569bc02e-6
0.317
MAT-POS-afb6844f-3
0.317
JAG-UCB-c61058a9-22
0.316
MAT-POS-b5c94171-1
0.316
MIC-UNK-b12b7f76-1
0.316
JAG-UCB-571deb56-4
0.315
ADA-UCB-dc2b944c-12
0.314
EDG-MED-5d232de5-2
0.314
EDJ-MED-ba7e64f2-1
0.314
NAU-LAT-8502cac5-13
0.314
EDG-MED-5d232de5-1
0.314
ALP-POS-ce760d3f-7
0.314
ALP-POS-696356e4-1
0.314
JOH-SUS-a69c159d-1
0.314
JOH-SUS-a69c159d-2
0.314
BEN-DND-c852c98b-4
0.314
JAN-GHE-f4ca5a00-22
0.313