Molecular Properties | |
SMILES: | Cc1ccncc1-n1cc(C#N)cc(-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: | ✗ |
PET-UNK-94460c07-3
0.512
ADA-UCB-6c2cb422-6
0.506
PET-UNK-94460c07-4
0.477
PET-UNK-5eca9d1d-1
0.476
VLA-UCB-00f2c2b3-5
0.412
JAG-UCB-cedd89ab-1
0.376
DAR-DIA-d6e5861b-10
0.365
PET-UNK-5eca9d1d-3
0.364
PET-UNK-5eca9d1d-2
0.360
VLA-UCB-1dbca3b4-4
0.360
PET-UNK-94460c07-5
0.356
EDJ-MED-e66f2cc5-1
0.356
JAN-GHE-83b26c96-24
0.353
PET-UNK-eda34f30-1
0.352
DAR-DIA-53551c05-3
0.351
JAN-GHE-83b26c96-25
0.345
DAR-DIA-d6e5861b-6
0.342
PET-UNK-7a31b064-3
0.340
PET-UNK-94460c07-6
0.337
IND-SYN-2c708b29-1
0.333
DAR-DIA-d6e5861b-5
0.330
PET-UNK-7a31b064-4
0.330
EDJ-MED-49816e9b-4
0.326
ALP-POS-95b75b4d-11
0.326
EDJ-MED-e66f2cc5-2
0.326
MIC-UNK-e8a42ca9-2
0.324
DAR-DIA-5d6f1b43-1
0.323
ADA-UCB-6c2cb422-7
0.320
PET-UNK-94460c07-1
0.320
PET-UNK-4dc48bbe-3
0.319
KIM-UNI-60f168f5-2
0.304
ALP-POS-95b75b4d-12
0.302
MIC-UNK-e8a42ca9-1
0.302
PET-UNK-94460c07-2
0.301
DAR-DIA-d6e5861b-8
0.296
DAR-DIA-5d6f1b43-3
0.293
EDG-MED-0da5ad92-19
0.292
DAR-DIA-5d6f1b43-8
0.290
NAU-LAT-b0463c38-9
0.290
JAN-GHE-83b26c96-17
0.289
JAN-GHE-83b26c96-21
0.287
PET-UNK-e8933450-1
0.287
DAR-DIA-2964957d-2
0.286
DAR-DIA-d6e5861b-7
0.286
VLA-UCB-00f2c2b3-3
0.285
PET-UNK-bbe8d7ff-2
0.284
MAK-UNK-9e4a73aa-31
0.283
DAR-DIA-076fb6ea-6
0.283
EDG-MED-0da5ad92-5
0.283
BEN-VAN-5787f7d3-7
0.282
BEN-VAN-5787f7d3-6
0.282
MAT-POS-67c9d7d9-1
0.281
TRY-UNI-714a760b-6
0.281
AGN-NEW-63f62ae9-1
0.279
SAD-SAT-7d5528d9-18
0.278
MAK-UNK-f203cb68-9
0.277
EDJ-MED-49816e9b-6
0.277
MIC-UNK-df342a3f-2
0.276
BAR-COM-0f94fc3d-38
0.274
BEN-VAN-5787f7d3-10
0.272
JAN-GHE-83b26c96-4
0.272
TRY-UNI-2eddb1ff-5
0.272
TRY-UNI-714a760b-18
0.272
JAN-GHE-83b26c96-5
0.272
TRY-UNI-2eddb1ff-4
0.272
SAM-UNK-2684b532-2
0.271
BAR-COM-0f94fc3d-25
0.271
JAG-UCB-cedd89ab-8
0.270
TRY-UNI-714a760b-12
0.270
JAN-GHE-83b26c96-23
0.269
VLA-UCB-00f2c2b3-4
0.268
SAM-UNK-2684b532-1
0.268
DAR-DIA-076fb6ea-16
0.268
EDJ-MED-49816e9b-1
0.267
AGN-NEW-63f62ae9-2
0.267
MAK-UNK-6ca90168-24
0.267
BAR-COM-ebf5acce-13
0.267
EDG-MED-0da5ad92-6
0.267
EDG-MED-0da5ad92-11
0.266
TRY-UNI-714a760b-20
0.266
JAN-GHE-83b26c96-20
0.266
BAR-COM-ebf5acce-2
0.265
EDG-MED-0da5ad92-3
0.264
DAR-DIA-5d6f1b43-11
0.262
DAR-DIA-56cf811e-4
0.262
MED-COV-4280ac29-3
0.262
MAR-TRE-1c920f6f-88
0.262
VLA-UCB-05e51b3f-3
0.262
EDG-MED-0da5ad92-1
0.261
JAN-GHE-83b26c96-15
0.261
JAN-GHE-83b26c96-22
0.261
DAR-DIA-5d6f1b43-7
0.261
EDG-MED-0da5ad92-10
0.261
MAK-UNK-f203cb68-18
0.261
MAT-POS-1e5f28a7-1
0.260
DAR-DIA-5d6f1b43-5
0.260
MIC-UNK-4e776895-2
0.260
DAR-DIA-5d6f1b43-33
0.259
TRY-UNI-714a760b-24
0.258
MAK-UNK-6ca90168-23
0.258