Molecular Properties | |
SMILES: | CCNc1ncc(C#N)cc1CCc1cccc(C(N)=O)c1 |
MW: | 294.358 |
Fraction sp3: | 0.24 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 91.8 |
cLogP: | 2.26918 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-5
PET-SGC-9a4d8c0f-1
0.529
MAK-UNK-516d8086-25
0.512
PET-SGC-90aed325-1
0.466
BEN-DND-362d364a-6
0.466
GAB-REV-df64cf17-21
0.463
THO-SYG-98fc3427-5
0.400
JAN-GHE-fd8d85a5-1
0.395
PET-SGC-175e168c-1
0.391
TRY-UNI-1fd04853-1
0.391
THO-SYG-98fc3427-6
0.388
PET-SGC-f147f0b6-1
0.380
MAK-UNK-516d8086-13
0.378
DAR-DIA-fb20be43-4
0.376
JAN-GHE-fd8d85a5-5
0.376
BRU-LEF-ae0885ba-1
0.376
PAU-UNI-52c0427f-1
0.376
GAB-REV-df64cf17-15
0.375
NIR-THE-0d6461ce-6
0.375
JAN-GHE-fd8d85a5-4
0.372
JAN-UNI-2e92c4b1-4
0.370
PET-SGC-0f1d26ed-1
0.369
PET-SGC-39d74636-2
0.366
JAN-UNI-2e92c4b1-3
0.366
JAN-UNI-2e92c4b1-5
0.366
JAN-GHE-fd8d85a5-6
0.364
GAB-REV-df64cf17-22
0.363
BEN-DND-362d364a-3
0.361
MAK-UNK-516d8086-3
0.359
GAB-REV-df64cf17-19
0.359
GAB-REV-df64cf17-9
0.356
MAK-UNK-516d8086-5
0.352
MAK-UNK-516d8086-21
0.352
MAK-UNK-516d8086-20
0.348
MAK-UNK-ec98eaf6-22
0.348
PET-SGC-34dcf0dc-1
0.345
MAK-UNK-516d8086-19
0.344
MAK-UNK-ec98eaf6-37
0.340
JOR-UNI-61e7b1d5-1
0.337
MAK-UNK-516d8086-9
0.337
THO-SYG-98fc3427-7
0.327
THO-SYG-98fc3427-4
0.327
JOR-UNI-61e7b1d5-8
0.323
ANN-UNI-98d2bf15-2
0.322
NIR-THE-0d6461ce-7
0.315
LIZ-THE-7023c732-2
0.313
GAB-REV-df64cf17-6
0.312
GAB-REV-df64cf17-18
0.309
TRY-UNI-1fd04853-2
0.308
GAB-REV-df64cf17-10
0.306
SAD-SAT-cefd50cc-10
0.304
MAK-UNK-27459e11-15
0.304
PET-SGC-0f1d26ed-2
0.302
MED-COV-4280ac29-34
0.301
GAB-REV-df64cf17-17
0.300
JOR-UNI-61e7b1d5-21
0.298
GAB-REV-df64cf17-7
0.297
MAK-UNK-516d8086-17
0.296
SID-ELM-433ea7f3-1
0.294
GAB-REV-df64cf17-20
0.293
GAB-REV-df64cf17-16
0.292
JOR-UNI-61e7b1d5-17
0.291
MAR-TRE-3e4e6814-22
0.290
JOR-UNI-61e7b1d5-4
0.290
JAN-GHE-fd8d85a5-11
0.289
MAK-UNK-516d8086-10
0.289
MAK-UNK-516d8086-7
0.287
JOR-UNI-61e7b1d5-29
0.287
MAK-UNK-516d8086-11
0.286
JOR-UNI-61e7b1d5-23
0.284
JOR-UNI-61e7b1d5-31
0.284
JOR-UNI-61e7b1d5-27
0.284
AAR-UNI-c25c2f1e-7
0.283
MAR-TRE-04c86cea-34
0.283
MAK-UNK-ec98eaf6-15
0.282
MAK-UNK-516d8086-32
0.281
JOR-UNI-61e7b1d5-13
0.280
MAR-TRE-3e4e6814-16
0.280
JOR-UNI-61e7b1d5-25
0.279
GAB-REV-df64cf17-2
0.278
AAR-UNI-c25c2f1e-74
0.278
MAK-UNK-516d8086-8
0.278
AAR-POS-d2a4d1df-5
0.278
DAR-DIA-23aa0b97-3
0.278
JOR-UNI-61e7b1d5-15
0.278
JOR-UNI-61e7b1d5-19
0.278
GAB-REV-df64cf17-14
0.277
DAR-DIA-23aa0b97-4
0.276
MAK-UNK-516d8086-18
0.276
JOR-UNI-61e7b1d5-6
0.275
MAK-UNK-30aad1f1-3
0.274
JOR-UNI-61e7b1d5-11
0.274
LON-WEI-babf2c61-3
0.272
MAR-UNI-9d4da90d-2
0.272
MAK-UNK-516d8086-1
0.271
TRY-UNI-714a760b-19
0.269
SID-ELM-433ea7f3-2
0.269
GAB-REV-df64cf17-3
0.268
AAR-UNI-c25c2f1e-25
0.268
PAU-WEI-f734c343-3
0.267
BEN-DND-61647d40-7
0.267