Molecular Properties | |
SMILES: | C=CC(=O)Nc1cnccc1C#N |
MW: | 173.06 |
Fraction sp3: | 0.0 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 65.78 |
cLogP: | 1.08 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
AAR-POS-d2a4d1df-24
MAK-UNK-6ca90168-29
0.588
MAK-UNK-6ca90168-27
0.490
MAK-UNK-6ca90168-23
0.469
SAD-SAT-24589cd1-5
0.462
ALP-POS-95b75b4d-9
0.462
MAK-UNK-10dfa458-31
0.429
MAK-UNK-10dfa458-24
0.417
SAD-SAT-89668ff1-3
0.411
DAV-IMP-59dd6621-1
0.397
LON-WEI-af038623-7
0.391
ASH-SAT-43770c7d-9
0.356
ANT-DIA-3c79be55-2
0.354
MAK-UNK-ca11b4f7-2
0.352
LON-WEI-af038623-3
0.350
TRY-UNI-2eddb1ff-1
0.319
AAR-POS-d2a4d1df-3
0.315
MAK-UNK-6435e6c2-8
0.315
MAT-POS-590ac91e-26
0.309
SAD-SAT-24589cd1-8
0.307
BEN-DND-61647d40-8
0.300
SAD-SAT-24589cd1-1
0.299
TRY-UNI-714a760b-20
0.297
MAT-POS-590ac91e-14
0.296
SAD-SAT-89668ff1-7
0.295
CHR-SOS-363cfb78-2
0.292
CHR-SOS-363cfb78-7
0.291
NIM-UNI-bb9030bf-16
0.290
TRY-UNI-714a760b-24
0.288
NIR-THE-b7e8e081-1
0.288
MAT-POS-590ac91e-15
0.286
NIM-UNI-bb9030bf-5
0.284
MAK-UNK-6ca90168-26
0.283
SAD-SAT-24589cd1-3
0.282
SAD-SAT-89668ff1-5
0.282
DAR-DIA-23aa0b97-4
0.282
ERI-UCB-5b47150d-4
0.281
ERI-UCB-5b47150d-6
0.279
GAB-REV-70cc3ca5-19
0.278
MAT-POS-590ac91e-27
0.278
MAR-TRE-0fda4e82-32
0.277
ALE-HEI-f28a35b5-12
0.277
DAR-DIA-0cde14eb-74
0.275
MAT-POS-044491d2-7
0.274
TRY-UNI-714a760b-22
0.273
JOH-IMS-d6628593-3
0.273
SAM-UNK-2684b532-13
0.271
ALP-POS-95b75b4d-8
0.271
BEN-DND-61647d40-7
0.270
MAT-POS-590ac91e-1
0.270
ERI-UCB-5b47150d-1
0.270
MAT-POS-590ac91e-2
0.270
TRY-UNI-1fd04853-2
0.269
JAN-GHE-83b26c96-11
0.269
TRY-UNI-714a760b-5
0.269
TRY-UNI-2eddb1ff-2
0.268
EDG-MED-0da5ad92-8
0.268
CHR-SOS-363cfb78-8
0.267
CHA-KIN-ceadbd93-5
0.267
SAD-SAT-cefd50cc-10
0.266
MAT-POS-590ac91e-19
0.265
PET-SGC-6e7c5dc0-1
0.265
DAR-DIA-23aa0b97-6
0.264
ALP-POS-95b75b4d-2
0.264
NIM-UNI-bb9030bf-1
0.263
LON-WEI-af038623-9
0.263
TRY-UNI-9f475305-9
0.263
PET-SGC-175e168c-1
0.263
TRY-UNI-1fd04853-1
0.263
SAD-SAT-24589cd1-6
0.261
MAK-UNK-748f8b7a-6
0.261
JOH-IMS-d6628593-2
0.261
DAR-DIA-842b4336-5
0.261
CHR-SOS-7098f804-21
0.261
MAT-POS-590ac91e-5
0.261
WIL-UNI-5578df48-11
0.260
DAR-DIA-23aa0b97-17
0.260
MAR-TRE-7f7bb9f0-91
0.260
SAD-SAT-24589cd1-10
0.258
MAT-POS-590ac91e-13
0.258
ALE-HEI-f28a35b5-13
0.258
MAT-POS-590ac91e-11
0.258
MIH-UNI-6b9ca91a-1
0.257
JOH-IMS-d6628593-1
0.257
NIM-UNI-bb9030bf-4
0.257
ALE-HEI-f28a35b5-6
0.257
TRY-UNI-714a760b-10
0.257
ABI-SAT-4d06482b-1
0.257
WAR-XCH-eb7b662f-1
0.257
DAR-DIA-23aa0b97-5
0.257
ANN-UNI-26382800-4
0.257
JOR-UNI-61e7b1d5-2
0.257
MAT-POS-590ac91e-23
0.257
EDG-MED-0da5ad92-4
0.257
BEN-DND-61647d40-10
0.257
JOH-UNI-abfda500-5
0.257
ANN-UNI-98d2bf15-3
0.257
GAB-REV-70cc3ca5-13
0.257
MAR-TRE-74c6519b-76
0.256
JAG-UCB-a3ef7265-23
0.256
DAR-DIA-0cde14eb-14
0.256