Molecular Properties | |
SMILES: | C=CC(=O)N1Cc2ccccc2C(c2cccc(C#N)c2)C1C(=O)Nc1cnccc1C |
MW: | 422.17 |
Fraction sp3: | 0.15 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 86.09 |
cLogP: | 3.93 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
MIH-UNI-e573136b-13
0.386
TRY-UNI-9f475305-9
0.379
GAB-REV-70cc3ca5-19
0.374
TRY-UNI-714a760b-24
0.373
TRY-UNI-714a760b-22
0.371
TRY-UNI-714a760b-20
0.365
DAV-CRI-1c77f7a9-7
0.348
MAK-UNK-6ca90168-27
0.341
DAV-CRI-1c77f7a9-6
0.339
MAT-POS-590ac91e-26
0.337
MAR-TRE-4b834d9a-26
0.336
MAT-POS-590ac91e-15
0.333
MAT-POS-590ac91e-19
0.333
MIC-UNK-e8a42ca9-1
0.331
ERI-UCB-5b47150d-6
0.330
PET-SGC-175e168c-1
0.324
TRY-UNI-1fd04853-1
0.324
NIR-THE-b7e8e081-1
0.321
MAT-POS-590ac91e-18
0.320
DAV-CRI-1c77f7a9-4
0.320
SAD-SAT-7d5528d9-7
0.319
TRY-UNI-2eddb1ff-1
0.318
MIC-UNK-e8a42ca9-2
0.317
TRY-UNI-9f475305-1
0.314
DAR-DIA-6a508060-12
0.314
MAT-POS-590ac91e-22
0.314
THO-SYG-cc9e9a11-4
0.314
BEN-DND-6de5dfa0-12
0.313
JAV-UNI-4503e1e6-1
0.313
ADA-UCB-6c2cb422-2
0.312
CHR-SOS-363cfb78-2
0.311
MAT-POS-590ac91e-28
0.311
THO-SYG-cc9e9a11-3
0.311
SAD-SAT-7d5528d9-26
0.308
MAT-POS-590ac91e-8
0.308
NIR-THE-c331be7a-2
0.306
TRY-UNI-1fd04853-2
0.306
ERI-UCB-5b47150d-4
0.306
RAL-THA-901e9a10-3
0.306
TRY-UNI-2eddb1ff-6
0.306
SAD-SAT-cefd50cc-10
0.304
BEN-DND-22e6b372-2
0.303
JAN-GHE-83b26c96-20
0.303
EDG-MED-0da5ad92-11
0.303
MAT-POS-590ac91e-14
0.302
MAT-POS-b3e365b9-3
0.302
DAR-DIA-6a508060-6
0.302
BRU-CON-c4e3408a-1
0.302
MAT-POS-b3e365b9-4
0.302
JAN-GHE-f4ca5a00-13
0.302
MAT-POS-590ac91e-12
0.301
MIC-UNK-2744a8e2-13
0.300
MIC-UNK-1e397c67-1
0.300
GAB-REV-70cc3ca5-2
0.299
ASH-SAT-43770c7d-9
0.299
PET-SGC-276eba5a-1
0.298
MIC-UNK-2744a8e2-4
0.298
MIC-UNK-df342a3f-2
0.298
DAR-DIA-0cde14eb-6
0.297
ALP-POS-95b75b4d-4
0.297
BEN-DND-09b88bf4-4
0.296
BEN-DND-6de5dfa0-4
0.296
DAR-DIA-23e5a6a0-12
0.295
JOH-UNI-abfda500-6
0.295
MAT-POS-590ac91e-21
0.295
ANN-UNI-98d2bf15-1
0.295
BAR-COM-0f94fc3d-25
0.295
DOU-UNK-b5326f8f-15
0.293
MIC-UNK-2744a8e2-5
0.293
SAD-SAT-24589cd1-9
0.293
DAR-DIA-0cde14eb-9
0.292
MAT-POS-590ac91e-5
0.291
MIC-UNK-2744a8e2-2
0.291
SAM-UNK-2684b532-9
0.291
DAR-DIA-0cde14eb-15
0.291
DAR-DIA-23e5a6a0-15
0.290
MAK-UNK-748f8b7a-9
0.290
DAR-DIA-23e5a6a0-18
0.290
MAT-POS-590ac91e-27
0.290
JAN-GHE-83b26c96-12
0.290
CHR-SOS-6c45c019-8
0.289
MAK-UNK-372b0df5-1
0.289
DAV-CRI-1c77f7a9-3
0.289
MIC-UNK-2744a8e2-3
0.289
DAV-CRI-1c77f7a9-5
0.289
MAT-POS-590ac91e-23
0.288
DAR-DIA-23e5a6a0-17
0.288
JAN-GHE-83b26c96-22
0.287
EDG-MED-0da5ad92-10
0.287
EDG-MED-0da5ad92-9
0.287
SIM-DEM-4fb93ec7-1
0.287
GAB-REV-70cc3ca5-7
0.287
DAR-DIA-0cde14eb-11
0.287
CHR-SOS-363cfb78-7
0.287
LON-WEI-af038623-7
0.286
MAK-UNK-6435e6c2-8
0.286
AAR-POS-d2a4d1df-3
0.286
MAT-POS-590ac91e-24
0.286
DAR-DIA-0cde14eb-7
0.286
DAR-DIA-0cde14eb-8
0.286