Molecular Properties | |
SMILES: | NC(=O)[C@H]1CC(Cc2cncs2)=C[C@H]1c1cccc(Cl)c1 |
MW: | 318.829 |
Fraction sp3: | 0.25 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 55.98 |
cLogP: | 3.5544 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
isolated alkene
AAR-POS-d2a4d1df-14
DAR-DIA-43a5904b-9
0.662
DAR-DIA-43a5904b-1
0.623
DAR-DIA-43a5904b-11
0.615
DAR-DIA-43a5904b-7
0.608
DAR-DIA-43a5904b-10
0.554
DAR-DIA-43a5904b-3
0.459
DAR-DIA-43a5904b-13
0.446
DAR-DIA-43a5904b-2
0.437
DAR-DIA-43a5904b-14
0.427
DAR-DIA-43a5904b-12
0.423
DAR-DIA-43a5904b-4
0.422
DAR-DIA-43a5904b-15
0.394
DAR-DIA-43a5904b-16
0.390
DAR-DIA-43a5904b-17
0.381
DAR-DIA-43a5904b-5
0.363
DAR-DIA-43a5904b-6
0.363
NIM-UNI-13494739-5
0.281
JAR-KUA-8c13982c-11
0.275
ERI-UCB-ce40166b-24
0.275
MAT-POS-24589f88-14
0.265
BEN-DND-d1eb1f41-7
0.265
UNK-UNK-2ede4078-58
0.257
PET-UNK-689df078-4
0.252
ERI-UCB-ce40166b-22
0.252
VLA-UCB-1dbca3b4-4
0.250
PET-UNK-7f7e354d-7
0.250
PET-UNK-431b3bfb-1
0.248
VLA-UNK-db5e3064-1
0.248
PET-UNK-689df078-2
0.248
MAR-TRE-4b834d9a-26
0.248
ALP-UNI-58319883-2
0.248
NIM-UNI-b87c0f72-1
0.248
NIM-UNI-b87c0f72-2
0.248
VLA-UCB-1dbca3b4-6
0.248
JAN-GHE-f4ca5a00-17
0.242
NAU-LAT-e1818702-10
0.241
JAN-GHE-5a013bed-7
0.241
BAR-COM-4e090d3a-58
0.240
PET-UNK-7a31b064-6
0.240
PET-UNK-4dc48bbe-1
0.240
JOH-IMS-1436231f-2
0.239
EDJ-MED-a364e151-3
0.237
SAM-UNK-2684b532-5
0.237
DAN-LON-a5fc619e-1
0.237
ANN-UNI-98d2bf15-3
0.237
JOH-UNI-abfda500-5
0.237
VLA-UNK-db5e3064-2
0.235
VLA-UCB-1dbca3b4-12
0.235
MIC-UNK-d854bf4c-1
0.235
PET-UNK-4dc48bbe-7
0.234
PET-UNK-eda34f30-1
0.232
ADA-UNI-f8e79267-12
0.232
SAM-UNK-2684b532-11
0.232
JAN-GHE-f4ca5a00-16
0.232
UNK-UNK-2ede4078-35
0.231
TRY-UNI-9f475305-8
0.231
PET-UNK-f92d7c0c-1
0.231
PET-UNK-7a31b064-4
0.231
PET-UNK-f92d7c0c-6
0.231
EDJ-MED-6e43a462-11
0.230
JAN-GHE-5a013bed-9
0.230
DAR-DIA-bd041b9b-20
0.229
DAN-LON-a5fc619e-4
0.229
JAN-GHE-83b26c96-6
0.229
ALP-POS-95b75b4d-7
0.229
JAN-GHE-f4ca5a00-14
0.229
TRY-UNI-714a760b-15
0.229
AAR-POS-0daf6b7e-10
0.229
PET-UNK-c9c1e0d8-3
0.229
VLA-UCB-1dbca3b4-8
0.228
MAK-UNK-ffc90da7-7
0.227
PET-UNK-7a31b064-2
0.227
MIC-UNK-0a05c952-2
0.227
JAN-GHE-83b26c96-2
0.227
ALP-POS-95b75b4d-5
0.227
MAT-POS-bb423b95-4
0.227
VLA-UCB-1dbca3b4-18
0.226
PET-UNK-abc197b8-1
0.226
SAD-SAT-7d5528d9-4
0.226
MED-COV-4280ac29-11
0.226
MAK-UNK-f203cb68-2
0.225
MIC-UNK-4e776895-2
0.225
PET-UNK-194f9da3-2
0.225
PET-UNK-f92d7c0c-5
0.225
DAR-DIA-23aa0b97-13
0.225
PET-UNK-f92d7c0c-4
0.225
CHR-SOS-7098f804-21
0.225
EDG-MED-0da5ad92-2
0.225
SEA-TRI-2dd971ce-1
0.224
EDJ-MED-50fe53e8-4
0.224
BRU-CON-67e07230-1
0.224
PET-UNK-b1ef24dc-2
0.224
BEN-DND-02317c5c-9
0.224
MEL-NAT-8c3652c8-9
0.224
MIC-UNK-d854bf4c-3
0.224
MAK-UNK-942dcb71-5
0.224
SAM-UNK-2684b532-7
0.223
VLA-UCB-1dbca3b4-17
0.223
SAD-SAT-7d5528d9-5
0.223
MIC-UNK-50cce87d-6
0.223