Molecular Properties | |
SMILES: | Cc1ccncc1-c1cc(C#N)cn(-c2cccc(Cl)c2)c1=O |
MW: | 321.07 |
Fraction sp3: | 0.06 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 58.68 |
cLogP: | 3.73 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ADA-UCB-6c2cb422-5
0.506
PET-UNK-5eca9d1d-2
0.395
DAR-DIA-5d6f1b43-26
0.366
DAR-DIA-5d6f1b43-18
0.364
DAR-DIA-5d6f1b43-23
0.360
DAR-DIA-5d6f1b43-20
0.350
JAG-UCB-cedd89ab-1
0.349
EDJ-MED-e66f2cc5-2
0.345
DAR-DIA-5d6f1b43-31
0.343
DAR-DIA-5d6f1b43-28
0.343
JAN-GHE-83b26c96-24
0.341
DAR-DIA-5d6f1b43-2
0.341
PET-UNK-5eca9d1d-3
0.337
PET-UNK-94460c07-3
0.333
DAR-DIA-5d6f1b43-33
0.333
DAR-DIA-5d6f1b43-22
0.330
BEN-VAN-5787f7d3-10
0.327
BEN-VAN-5787f7d3-6
0.323
JAN-GHE-83b26c96-25
0.318
DAR-DIA-5d6f1b43-32
0.317
DAR-DIA-53551c05-3
0.313
PET-UNK-94460c07-4
0.312
DAR-DIA-5d6f1b43-25
0.311
PET-UNK-4dc48bbe-5
0.310
DAR-DIA-5d6f1b43-27
0.310
PET-UNK-5eca9d1d-1
0.309
BEN-VAN-5787f7d3-7
0.308
EDJ-MED-49816e9b-6
0.308
VLA-UCB-00f2c2b3-5
0.308
DAR-DIA-5d6f1b43-24
0.306
DAR-DIA-5d6f1b43-30
0.302
MAK-UNK-9e4a73aa-31
0.299
TRY-UNI-714a760b-6
0.299
BEN-VAN-5787f7d3-4
0.298
ADA-UCB-6c2cb422-7
0.298
BEN-VAN-5787f7d3-5
0.295
ALP-POS-95b75b4d-13
0.295
JAN-GHE-83b26c96-17
0.292
MAK-UNK-f203cb68-18
0.292
JAN-GHE-83b26c96-21
0.291
VLA-UCB-1dbca3b4-4
0.290
BAR-COM-0f94fc3d-38
0.290
DAR-DIA-2964957d-2
0.289
MAK-UNK-6ca90168-23
0.289
PET-UNK-7a31b064-3
0.289
DAR-DIA-5d6f1b43-15
0.288
JAN-GHE-83b26c96-18
0.287
JAG-UCB-cedd89ab-8
0.287
TRY-UNI-714a760b-12
0.287
EDJ-MED-e66f2cc5-1
0.287
PET-UNK-bbe8d7ff-2
0.287
DAR-DIA-5d6f1b43-16
0.286
PET-UNK-94460c07-5
0.286
PET-UNK-eda34f30-1
0.284
TRY-UNI-714a760b-20
0.283
BEN-VAN-5787f7d3-11
0.282
SAD-SAT-7d5528d9-18
0.281
DAR-DIA-5d6f1b43-29
0.281
EDG-MED-0da5ad92-3
0.281
EDG-MED-0da5ad92-19
0.281
PET-UNK-7a31b064-4
0.280
MIC-UNK-df342a3f-2
0.279
MIC-UNK-2744a8e2-4
0.278
RAI-NOV-c18e0037-3
0.278
EDG-MED-0da5ad92-10
0.278
JAN-GHE-83b26c96-22
0.278
MIC-UNK-e8a42ca9-2
0.276
BEN-VAN-5787f7d3-9
0.276
BEN-VAN-5787f7d3-8
0.275
JAN-GHE-83b26c96-4
0.275
JAN-GHE-83b26c96-5
0.275
TRY-UNI-2eddb1ff-4
0.275
TRY-UNI-714a760b-18
0.275
TRY-UNI-2eddb1ff-5
0.275
EDJ-MED-49816e9b-4
0.274
ALP-POS-95b75b4d-11
0.274
BAR-COM-0f94fc3d-25
0.274
DAR-DIA-076fb6ea-6
0.273
BAR-COM-ebf5acce-15
0.273
MAR-TRE-4b834d9a-26
0.272
JAN-GHE-83b26c96-23
0.272
EDG-MED-0da5ad92-5
0.272
ALP-POS-f13221e1-4
0.272
PET-UNK-94460c07-6
0.271
DAR-DIA-d6e5861b-10
0.270
MAK-UNK-6ca90168-24
0.270
EDJ-MED-49816e9b-1
0.270
EDG-MED-0da5ad92-11
0.269
JAN-GHE-83b26c96-20
0.269
GAB-REV-70cc3ca5-19
0.268
MAK-UNK-f203cb68-9
0.267
DAR-DIA-5d6f1b43-14
0.267
JAN-GHE-83b26c96-10
0.266
DAR-DIA-56cf811e-4
0.265
SAD-SAT-7d5528d9-7
0.265
EDG-MED-0da5ad92-1
0.264
JAN-GHE-83b26c96-15
0.264
BAR-COM-ebf5acce-3
0.263
WAR-XCH-b72a1bbc-4
0.263
TRY-UNI-714a760b-24
0.261