Molecular Properties | |
SMILES: | NC(=O)[C@H]1CC(Cc2ccccc2)=C[C@H]1c1cccc(Cl)c1 |
MW: | 311.812 |
Fraction sp3: | 0.21 |
HBA: | 1 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 43.09 |
cLogP: | 4.0979 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
isolated alkene
AAR-POS-d2a4d1df-14
DAR-DIA-43a5904b-1
0.690
DAR-DIA-43a5904b-11
0.658
DAR-DIA-43a5904b-9
0.639
DAR-DIA-43a5904b-8
0.608
DAR-DIA-43a5904b-10
0.594
DAR-DIA-43a5904b-13
0.488
DAR-DIA-43a5904b-3
0.487
DAR-DIA-43a5904b-2
0.481
DAR-DIA-43a5904b-4
0.464
DAR-DIA-43a5904b-12
0.462
DAR-DIA-43a5904b-14
0.451
DAR-DIA-43a5904b-15
0.414
DAR-DIA-43a5904b-17
0.414
DAR-DIA-43a5904b-16
0.410
DAR-DIA-43a5904b-6
0.368
DAR-DIA-43a5904b-5
0.368
ERI-UCB-ce40166b-24
0.302
DAN-LON-a5fc619e-5
0.300
PAU-WEI-b9b69149-1
0.300
MAK-UNK-ec98eaf6-49
0.292
DAR-DIA-3e9bbd81-12
0.282
GIA-UNK-7337c2f3-2
0.282
DAN-LON-a5fc619e-1
0.279
DAN-LON-a5fc619e-10
0.278
NAM-UNK-f7c77a48-3
0.275
RUB-POS-1325a9ea-16
0.273
ALP-POS-8b8a49e1-6
0.273
UNK-UNK-2ede4078-58
0.270
RAL-MED-2de63afb-6
0.270
JAN-GHE-f4ca5a00-17
0.270
DAR-DIA-3e9bbd81-3
0.269
NIM-UNI-13494739-5
0.269
MAK-UNK-ec98eaf6-44
0.267
GIA-UNK-c4371e97-3
0.267
ALP-POS-90e38439-3
0.265
ALP-POS-8b8a49e1-5
0.265
MIC-UNK-42806bd5-2
0.265
MIC-UNK-fc94cdb5-1
0.265
MAK-UNK-ec98eaf6-46
0.263
NAU-LAT-a5c7d7cb-14
0.261
ROB-UNI-daaf9793-2
0.261
DAV-CRI-3edb475e-4
0.260
AHN-SAT-721e3e40-1
0.258
ALP-POS-8b8a49e1-7
0.256
DAN-LON-a5fc619e-8
0.256
EDG-MED-0da5ad92-15
0.256
RUB-POS-1325a9ea-24
0.256
JOH-IMS-1436231f-2
0.253
ALP-POS-8b8a49e1-8
0.253
MED-COV-4280ac29-13
0.253
ROB-UNI-daaf9793-4
0.253
ALP-POS-90e38439-1
0.253
RUB-POS-1325a9ea-23
0.253
VLA-UCB-1dbca3b4-1
0.253
NAU-LAT-a5c7d7cb-13
0.253
NAU-LAT-e1818702-9
0.250
BEN-DND-362d364a-1
0.250
AAR-UNI-c25c2f1e-78
0.250
PET-UNK-f92d7c0c-9
0.247
MAT-POS-7174c657-2
0.247
SAD-SAT-c989feaa-5
0.247
NAM-UNK-f7c77a48-4
0.247
MED-COV-4280ac29-15
0.247
HYO-UNK-49a60884-1
0.247
JOH-UNI-0e1753c1-3
0.247
AAR-POS-d2a4d1df-35
0.247
DAV-CRI-1c77f7a9-4
0.245
RUB-POS-1325a9ea-21
0.245
SAD-SAT-c989feaa-7
0.245
JAN-GHE-f4ca5a00-16
0.244
PET-UNK-f92d7c0c-6
0.244
PET-UNK-f92d7c0c-1
0.244
MED-COV-4280ac29-6
0.244
AAR-POS-0daf6b7e-10
0.244
MAK-UNK-ec98eaf6-12
0.242
DAN-LON-a5fc619e-6
0.242
DAN-LON-a5fc619e-4
0.242
NAU-LAT-a5c7d7cb-12
0.242
MAT-POS-bfb445d4-2
0.242
PET-UNK-e44ffd04-1
0.242
BEN-DND-02317c5c-8
0.242
DUN-NEW-d8381160-1
0.242
PET-UNK-f92d7c0c-3
0.241
MAT-POS-24589f88-14
0.240
BEN-DND-d1eb1f41-7
0.240
VLA-UCB-1dbca3b4-7
0.240
MED-COV-4280ac29-19
0.240
MED-COV-4280ac29-2
0.240
PET-UNK-f92d7c0c-2
0.239
RUB-POS-1325a9ea-20
0.239
PET-UNK-f92d7c0c-8
0.239
MIC-UNK-42806bd5-1
0.238
ALP-POS-90e38439-2
0.238
MAT-POS-500ca5bf-2
0.238
PET-UNK-f92d7c0c-5
0.238
PET-UNK-f92d7c0c-4
0.238
MAK-UNK-ec98eaf6-7
0.238
JAN-GHE-5a013bed-5
0.237
BEN-DND-02317c5c-9
0.237
NAU-LAT-e1818702-8
0.237