Molecular Properties | |
SMILES: | CC(=O)NC(C#CC(NC(=O)CCl)c1cccc(Cl)c1)c1ccc(O)cc1 |
MW: | 405.281 |
Fraction sp3: | 0.2 |
HBA: | 3 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 78.43 |
cLogP: | 3.3225 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
triple bond
DAV-CRI-25b90884-1
0.533
DAV-CRI-25b90884-2
0.500
DAV-CRI-25b90884-4
0.481
AAR-POS-0daf6b7e-10
0.420
DAV-CRI-3edb475e-4
0.400
DAV-CRI-3edb475e-5
0.387
JOK-SYG-a0b0bf84-1
0.367
NIC-BIO-a68395b7-4
0.357
WIL-LEE-1f71e281-7
0.346
TRY-UNI-9f475305-11
0.345
DAV-CRI-3edb475e-2
0.324
WIL-LEE-1f71e281-3
0.317
WIL-LEE-1f71e281-4
0.317
MAR-TRE-e86a56b5-45
0.311
MED-COV-4280ac29-6
0.304
SAD-SAT-c989feaa-3
0.303
JOH-IMS-1436231f-5
0.292
VLA-UNK-411a133b-1
0.289
MAK-UNK-10799360-36
0.287
DAV-CRI-3edb475e-1
0.286
DAV-CRI-3edb475e-6
0.286
NIM-UNI-ed9fc491-3
0.286
JAN-GHE-83b26c96-1
0.284
MED-COV-4280ac29-7
0.284
EDG-MED-0da5ad92-5
0.284
MAR-TRE-e86a56b5-58
0.284
JOH-IMS-1436231f-3
0.284
NIC-BIO-a68395b7-3
0.282
DAV-CRI-3edb475e-3
0.282
MAK-UNK-ec98eaf6-6
0.280
NIC-BIO-7d400292-3
0.277
MAK-UNK-f983951f-22
0.276
MED-COV-4280ac29-18
0.276
EDJ-MED-49816e9b-2
0.274
EDG-MED-0da5ad92-16
0.274
MAK-UNK-f203cb68-3
0.274
PAU-WEI-b9b69149-3
0.274
TRY-UNI-9f475305-10
0.272
MAK-UNK-ec98eaf6-1
0.271
MAR-TRE-fffca54f-96
0.270
MAR-TRE-e86a56b5-63
0.270
MAK-UNK-f203cb68-1
0.270
MAK-UNK-c44f4be0-5
0.270
JAN-GHE-83b26c96-9
0.270
NIM-UNI-ed9fc491-4
0.269
AHN-SAT-721e3e40-1
0.269
JAN-GHE-83b26c96-8
0.269
DAV-CRI-14a23e73-2
0.269
ADA-UNI-f8e79267-11
0.269
ALP-POS-8b8a49e1-7
0.268
EDJ-MED-cf4b0d25-4
0.268
DAV-CRI-14a23e73-1
0.267
JAN-GHE-83b26c96-7
0.267
DAR-DIA-3e9bbd81-3
0.266
RIT-UNK-fa3975ff-1
0.266
JAN-GHE-5a013bed-5
0.266
PET-UNK-158bee2a-4
0.265
DAR-DIA-3e9bbd81-12
0.264
GIA-UNK-7337c2f3-2
0.264
ABI-SAT-4d06482b-2
0.264
EDG-MED-0da5ad92-18
0.264
JAN-GHE-83b26c96-2
0.264
MAK-UNK-ec98eaf6-15
0.264
DAN-LON-a5fc619e-7
0.263
MED-COV-4280ac29-2
0.263
MAK-UNK-10799360-33
0.263
JAN-GHE-5a013bed-1
0.262
MAK-UNK-f203cb68-2
0.260
SAD-SAT-29425be4-7
0.259
MAR-TRE-8190bb11-59
0.259
PET-UNK-8df914d1-4
0.259
AAR-POS-d2a4d1df-16
0.259
EDG-MED-0da5ad92-13
0.259
PET-UNK-158bee2a-3
0.259
JAN-GHE-83b26c96-5
0.258
TRY-UNI-714a760b-18
0.258
NIC-BIO-a68395b7-2
0.258
TRY-UNI-2eddb1ff-5
0.258
JAN-GHE-83b26c96-4
0.258
TRY-UNI-2eddb1ff-4
0.258
MAT-POS-bb423b95-8
0.258
MAK-UNK-ec98eaf6-50
0.257
MED-COV-4280ac29-34
0.257
PET-UNK-158bee2a-2
0.256
JAN-GHE-5a013bed-6
0.256
JAN-GHE-5a013bed-9
0.256
EDG-MED-0da5ad92-12
0.256
EDJ-MED-49816e9b-5
0.256
JAN-GHE-f4ca5a00-16
0.256
SEA-TRI-2c7f3de8-1
0.255
PAU-WEI-b9b69149-1
0.255
DAN-LON-a5fc619e-3
0.255
JOH-UNI-0e1753c1-5
0.255
ADA-UNI-f8e79267-8
0.255
MAK-UNK-f203cb68-13
0.255
NIC-BIO-3276ca7f-6
0.255
ALP-POS-ddb41b15-9
0.255
MAK-UNK-10799360-26
0.255
JOH-UNI-23d9e1b1-1
0.253
TRY-UNI-714a760b-6
0.253