Molecular Properties | |
SMILES: | C=CC(=O)NC(=O)CNc1ccc(Cl)c(Cc2nc(NCC)ccc2F)c1 |
MW: | 390.846 |
Fraction sp3: | 0.21 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 8 |
TPSA: | 83.12 |
cLogP: | 3.1374 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
acyclic_imide
BEN-VAN-ed886787-18
0.670
BEN-VAN-ed886787-16
0.659
BEN-VAN-ed886787-15
0.656
BEN-VAN-ed886787-20
0.611
BEN-VAN-ed886787-17
0.611
BEN-VAN-ed886787-4
0.596
BEN-VAN-ed886787-12
0.596
BEN-VAN-ed886787-10
0.589
BEN-VAN-ed886787-13
0.452
BEN-VAN-ed886787-14
0.452
BEN-VAN-ed886787-6
0.422
JOH-UNK-14e6adc5-5
0.413
BEN-VAN-ed886787-1
0.413
BEN-VAN-c4cc60be-1
0.413
BEN-VAN-ed886787-3
0.413
BEN-VAN-ed886787-5
0.390
BEN-VAN-ed886787-7
0.390
BEN-VAN-ed886787-8
0.390
BEN-VAN-ed886787-2
0.383
BEN-VAN-ed886787-9
0.383
BEN-VAN-ed886787-11
0.297
NIR-WEI-f9286bb6-3
0.241
SER-UNI-985a0e14-2
0.238
NIR-WEI-f9286bb6-1
0.222
CHE-UNK-35529387-2
0.222
MAR-TRE-799db12b-56
0.222
JUA-UNI-a9dfaed1-3
0.221
MAT-UCL-e2ab2224-2
0.216
MAR-TRE-3159af1a-64
0.216
DAV-IMP-59dd6621-1
0.215
MAR-TRE-6c5ef77a-24
0.214
LON-WEI-b8d98729-33
0.213
BEN-DND-a88ffd65-1
0.213
PET-UNK-dd44aeb6-2
0.213
RAL-THA-2d450e86-24
0.213
NIR-WEI-f9286bb6-2
0.212
SAD-SAT-f0a2747f-7
0.212
GAB-FAC-880f6604-1
0.212
BEN-VAN-d2b455e2-14
0.212
ALP-POS-d7944b10-1
0.212
ALP-POS-6479a3a9-3
0.212
LON-WEI-b8d98729-21
0.211
WIL-UNI-1faa9b10-8
0.211
EDG-MED-0da5ad92-13
0.210
LON-WEI-babf2c61-11
0.209
MAT-POS-e9e99895-12
0.208
MAT-UCL-e2ab2224-1
0.208
MAR-TRE-f5c2d31c-94
0.207
PET-UNK-8c422e11-2
0.207
NIR-WEI-f9286bb6-4
0.207
JAN-GHE-d851b096-1
0.205
MIC-UNK-06e5f114-2
0.205
LON-WEI-babf2c61-1
0.205
MAT-POS-c0143b99-1
0.205
NAU-LAT-e1818702-8
0.204
GAB-REV-70cc3ca5-12
0.204
BEN-VAN-d2b455e2-4
0.203
LON-WEI-adc59df6-33
0.203
MIC-UNK-06e5f114-1
0.203
BEN-VAN-d2b455e2-13
0.203
MIC-UNK-66895286-1
0.202
MAK-UNK-d1e89583-8
0.202
RUB-POS-1325a9ea-2
0.202
MIC-UNK-50cce87d-1
0.202
RAL-THA-2d450e86-25
0.202
PET-UNK-dd44aeb6-1
0.202
BEN-DND-d1eb1f41-6
0.202
MIC-IOC-304754b1-2
0.202
WAR-XCH-6eb0722e-4
0.202
MAK-UNK-516d8086-22
0.202
ALP-POS-d7944b10-2
0.202
ALP-POS-df536be7-6
0.202
JOH-UNI-ea72002d-6
0.202
DAR-DIA-6a49afbe-7
0.200
ALP-POS-6479a3a9-5
0.200
MAK-UNK-af83ef51-27
0.200
PET-UNK-8c422e11-1
0.200
EDJ-MED-a364e151-2
0.200
PET-UNK-d899bab6-2
0.200
JUL-TUD-06b2044f-73
0.200
BEN-VAN-d2b455e2-2
0.198
NIM-NMI-8bb27a2b-13
0.198
MED-COV-4280ac29-22
0.198
VLA-UNK-9a7dc93f-1
0.198
EDJ-MED-6e43a462-12
0.198
RUB-POS-1325a9ea-4
0.198
SAM-UNK-2684b532-11
0.198
MAR-TRE-6a44bbf2-93
0.198
MAR-TRE-f5c2d31c-13
0.197
MAT-POS-90fd5f68-12
0.197
SAL-INS-1c7a5a55-10
0.197
MAT-POS-90fd5f68-30
0.197
SAD-SAT-1f400d17-3
0.197
WIL-UNI-1faa9b10-31
0.196
BEN-DND-1e24cf73-5
0.196
MIC-UNK-f2576da4-1
0.196
JUL-TUD-06b2044f-138
0.196
MAR-TRE-c317dd82-63
0.196
MAR-TRE-f5c2d31c-14
0.196
EDG-MED-0da5ad92-12
0.196