Molecular Properties | |
SMILES: | CC(=O)NC(/C=C/C(NC(=O)CCl)c1cccc(Cl)c1)c1ccc(O)cc1 |
MW: | 407.297 |
Fraction sp3: | 0.2 |
HBA: | 3 |
HBD: | 3 |
Rotatable Bonds: | 7 |
TPSA: | 78.43 |
cLogP: | 3.8753 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
isolated alkene
DAV-CRI-25b90884-1
0.506
DAV-CRI-25b90884-3
0.500
DAV-CRI-25b90884-4
0.494
AAR-POS-0daf6b7e-10
0.414
DAV-CRI-3edb475e-4
0.394
DAV-CRI-3edb475e-5
0.382
JOK-SYG-a0b0bf84-1
0.362
NIC-BIO-a68395b7-4
0.353
MAR-TRE-e86a56b5-45
0.342
WIL-LEE-1f71e281-7
0.342
TRY-UNI-9f475305-11
0.341
DAV-CRI-3edb475e-2
0.320
WIL-LEE-1f71e281-3
0.313
WIL-LEE-1f71e281-4
0.313
JOH-IMS-1436231f-5
0.308
MED-COV-4280ac29-6
0.300
NIM-UNI-ed9fc491-3
0.296
MAK-UNK-f983951f-22
0.289
MAR-TRE-fffca54f-96
0.284
MAR-TRE-e86a56b5-63
0.284
DAV-CRI-3edb475e-1
0.282
DAV-CRI-3edb475e-6
0.282
MED-COV-4280ac29-7
0.281
DAV-CRI-14a23e73-2
0.280
NIC-BIO-a68395b7-3
0.279
NIM-UNI-ed9fc491-4
0.279
DAV-CRI-3edb475e-3
0.278
NIC-BIO-7d400292-3
0.274
MED-COV-4280ac29-18
0.273
SAD-SAT-c989feaa-3
0.272
VLA-UNK-411a133b-1
0.271
JAG-UCB-a3ef7265-15
0.271
PET-UNK-8df914d1-4
0.271
MAK-UNK-10799360-36
0.270
MAT-POS-bb423b95-8
0.269
TRY-UNI-9f475305-10
0.269
PET-UNK-158bee2a-2
0.268
EDG-MED-0da5ad92-12
0.267
EDJ-MED-49816e9b-5
0.267
MAK-UNK-c44f4be0-5
0.267
EDG-MED-0da5ad92-5
0.267
JAN-GHE-83b26c96-1
0.267
EDJ-MED-cf4b0d25-4
0.265
EDG-MED-0da5ad92-15
0.264
MAK-UNK-10799360-26
0.264
JOH-IMS-1436231f-3
0.263
MAR-TRE-e86a56b5-58
0.263
MAK-UNK-ec98eaf6-6
0.263
MIC-UNK-d36ab305-1
0.262
GIA-UNK-7337c2f3-2
0.261
DAR-DIA-3e9bbd81-12
0.261
JAN-GHE-83b26c96-2
0.261
NIM-UNI-ed9fc491-2
0.260
MIC-UNK-fc94cdb5-1
0.259
VLA-UNK-411a133b-2
0.259
EDJ-MED-50fe53e8-2
0.258
MAT-POS-f7918075-6
0.258
MAK-UNK-f203cb68-2
0.258
MAK-UNK-f203cb68-3
0.258
SAD-SAT-29425be4-7
0.257
EDJ-MED-49816e9b-2
0.256
EDG-MED-0da5ad92-16
0.256
NAU-LAT-e1818702-7
0.256
MAR-TRE-8190bb11-59
0.256
AAR-POS-d2a4d1df-16
0.256
JAG-UCB-a3ef7265-17
0.256
MAT-POS-90fd5f68-4
0.255
MAT-POS-c0609ef7-1
0.255
MAK-UNK-ec98eaf6-1
0.255
MAK-UNK-f203cb68-10
0.255
JAN-GHE-5a013bed-6
0.253
EDJ-MED-49816e9b-3
0.253
MAT-POS-bb423b95-5
0.253
SAM-UNK-2684b532-1
0.253
SEA-TRI-2c7f3de8-1
0.253
ADA-UNI-f8e79267-11
0.253
MAT-POS-90fd5f68-41
0.253
NAU-LAT-a5c7d7cb-6
0.253
ALP-POS-ddb41b15-9
0.252
PET-UNK-8df914d1-3
0.250
DAV-CRI-14a23e73-4
0.250
ALP-POS-8b8a49e1-7
0.250
NIM-UNI-ed9fc491-1
0.250
JAN-GHE-f4ca5a00-17
0.250
MAK-UNK-ec98eaf6-15
0.250
DAV-CRI-14a23e73-1
0.250
SAM-UNK-2684b532-3
0.250
DAR-DIA-3e9bbd81-3
0.250
RIT-UNK-fa3975ff-1
0.250
TRY-UNI-9f475305-3
0.250
BAR-COM-0f94fc3d-55
0.250
EDJ-MED-ee07cf00-1
0.248
ALP-POS-ddb41b15-8
0.248
MIC-UNK-d36ab305-4
0.248
JAN-GHE-f4ca5a00-20
0.248
ADA-UNI-f8e79267-10
0.247
MAT-POS-c20a539d-2
0.247
MED-COV-4280ac29-2
0.247
GIA-UNK-c4371e97-3
0.247
MAR-TRE-66ac689e-92
0.247