Molecular Properties | |
SMILES: | Cn1cc(CC2=C[C@@H](c3cccc(Cl)c3)[C@@H](C(N)=O)C2)cn1 |
MW: | 315.804 |
Fraction sp3: | 0.29 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 60.91 |
cLogP: | 2.8314 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
isolated alkene
AAR-POS-d2a4d1df-14
DAR-DIA-43a5904b-7
0.658
DAR-DIA-43a5904b-1
0.649
DAR-DIA-43a5904b-9
0.623
DAR-DIA-43a5904b-8
0.615
DAR-DIA-43a5904b-10
0.539
DAR-DIA-43a5904b-13
0.467
DAR-DIA-43a5904b-3
0.465
DAR-DIA-43a5904b-2
0.460
DAR-DIA-43a5904b-14
0.448
DAR-DIA-43a5904b-4
0.444
DAR-DIA-43a5904b-12
0.443
DAR-DIA-43a5904b-17
0.441
DAR-DIA-43a5904b-16
0.437
DAR-DIA-43a5904b-15
0.427
DAR-DIA-43a5904b-6
0.355
DAR-DIA-43a5904b-5
0.355
NIM-UNI-13494739-5
0.302
MAR-TRE-4b834d9a-26
0.291
JAN-GHE-f4ca5a00-17
0.277
DAR-DIA-842b4336-11
0.276
JOH-IMS-1436231f-2
0.275
VLA-UNK-411a133b-2
0.273
MAT-POS-24589f88-14
0.272
BEN-DND-d1eb1f41-7
0.272
ERI-UCB-ce40166b-24
0.269
EDJ-MED-49816e9b-3
0.267
JAN-GHE-5a013bed-5
0.262
PET-UNK-689df078-4
0.260
JAN-GHE-f4ca5a00-20
0.260
JAN-GHE-5a013bed-1
0.258
DAN-LON-a5fc619e-1
0.258
MIC-UNK-66895286-4
0.258
JOH-UNI-abfda500-5
0.258
ANN-UNI-98d2bf15-3
0.258
VLA-UCB-1dbca3b4-4
0.258
PET-UNK-8df914d1-4
0.256
VLA-UNK-411a133b-1
0.256
JAG-UCB-a3ef7265-15
0.256
NAU-LAT-e1818702-7
0.256
JAG-UCB-a3ef7265-17
0.256
EDJ-MED-c8e7a002-8
0.255
MIC-UNK-5a93dd5f-8
0.255
DAV-CRI-3edb475e-4
0.253
AAR-POS-0daf6b7e-10
0.253
MED-COV-4280ac29-6
0.253
EDJ-MED-49816e9b-5
0.253
JAN-GHE-f4ca5a00-16
0.253
JAN-GHE-83b26c96-1
0.253
MAT-POS-bb423b95-5
0.253
EDG-MED-0da5ad92-5
0.253
JAN-GHE-83b26c96-8
0.253
MAR-TRE-67513f76-92
0.253
UNK-UNK-2ede4078-58
0.252
JAN-GHE-f4ca5a00-14
0.250
EDG-MED-0da5ad92-15
0.250
JAG-UCB-252a2f58-1
0.250
EDJ-MED-6e43a462-12
0.250
MIC-UNK-5a93dd5f-6
0.248
ERI-UCB-ce40166b-22
0.248
DAR-DIA-bd041b9b-20
0.248
JAN-GHE-f4ca5a00-19
0.248
PET-UNK-7a31b064-6
0.248
VLA-UCB-1dbca3b4-8
0.248
MAT-POS-bb423b95-4
0.247
ALP-POS-95b75b4d-5
0.247
DAR-DIA-3e9bbd81-12
0.247
GIA-UNK-7337c2f3-2
0.247
EDG-MED-0da5ad92-18
0.247
JAN-GHE-f4ca5a00-18
0.245
MAK-UNK-f203cb68-3
0.245
BRU-CON-67e07230-1
0.245
SAM-UNK-2684b532-5
0.245
EDJ-MED-50fe53e8-4
0.245
BEN-DND-02317c5c-9
0.245
PET-UNK-7f7e354d-7
0.245
MAT-POS-0bc33984-1
0.245
MIC-UNK-66895286-2
0.244
MIC-UNK-42806bd5-2
0.244
ALP-POS-90e38439-3
0.244
ALP-POS-8b8a49e1-5
0.244
MIC-UNK-fc94cdb5-1
0.244
NIM-UNI-b87c0f72-2
0.243
NIM-UNI-b87c0f72-1
0.243
EDJ-MED-239d8ca5-1
0.243
VLA-UCB-1dbca3b4-6
0.243
BAR-COM-4e090d3a-62
0.242
JAN-GHE-f4ca5a00-12
0.242
NAU-LAT-e1818702-1
0.242
EDG-MED-0da5ad92-13
0.242
EDG-MED-0da5ad92-21
0.242
EDJ-MED-49816e9b-2
0.242
MIC-UNK-d854bf4c-1
0.241
MAK-UNK-f203cb68-4
0.241
EDJ-MED-97c1bf5c-2
0.240
AHN-SAT-721e3e40-1
0.240
RUB-POS-1325a9ea-15
0.240
EDJ-MED-6e43a462-10
0.240
PET-UNK-7a31b064-5
0.240
ALP-POS-8b8a49e1-6
0.240
PET-UNK-8df914d1-5
0.240