Molecular Properties | |
SMILES: | CCNc1ncc(C#N)cc1Cc1ccc2c(c1)C(=O)NC2 |
MW: | 292.342 |
Fraction sp3: | 0.24 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 77.81 |
cLogP: | 2.21928 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
AAR-POS-d2a4d1df-5
MAK-UNK-516d8086-3
1.000
MAK-UNK-516d8086-10
0.831
MAK-UNK-516d8086-11
0.819
MAK-UNK-516d8086-17
0.808
MAK-UNK-516d8086-1
0.789
MAK-UNK-516d8086-9
0.707
MAK-UNK-516d8086-8
0.697
MAK-UNK-516d8086-25
0.692
MAK-UNK-516d8086-2
0.636
MAK-UNK-516d8086-13
0.633
MAK-UNK-516d8086-22
0.625
MAK-UNK-516d8086-4
0.620
MAK-UNK-516d8086-5
0.620
MAK-UNK-516d8086-21
0.600
MAK-UNK-516d8086-20
0.593
GAB-REV-df64cf17-20
0.583
MAK-UNK-516d8086-16
0.575
MAK-UNK-516d8086-23
0.571
MAK-UNK-516d8086-7
0.537
MAK-UNK-516d8086-19
0.529
MAK-UNK-516d8086-24
0.523
MAK-UNK-516d8086-6
0.512
MAK-UNK-516d8086-18
0.512
MAK-UNK-516d8086-32
0.422
PET-SGC-f147f0b6-1
0.407
JAN-GHE-fd8d85a5-1
0.388
JAN-UNI-2e92c4b1-4
0.381
PET-SGC-9a4d8c0f-1
0.380
NIR-THE-0d6461ce-6
0.370
GAB-REV-df64cf17-9
0.367
PET-SGC-90aed325-1
0.366
BEN-DND-362d364a-6
0.366
JAN-GHE-fd8d85a5-6
0.359
GAB-REV-df64cf17-1
0.359
DAR-DIA-fb20be43-4
0.356
BRU-LEF-ae0885ba-1
0.356
JAN-GHE-fd8d85a5-5
0.356
PAU-UNI-52c0427f-1
0.356
PET-SGC-175e168c-1
0.355
TRY-UNI-1fd04853-1
0.355
MAK-UNK-516d8086-31
0.355
JAN-GHE-fd8d85a5-4
0.352
THO-SYG-98fc3427-4
0.349
JAN-UNI-2e92c4b1-3
0.345
PET-SGC-39d74636-2
0.345
GAB-REV-df64cf17-15
0.340
THO-SYG-98fc3427-7
0.336
GAB-REV-df64cf17-3
0.333
MAK-UNK-ec98eaf6-22
0.330
JAN-UNI-2e92c4b1-5
0.330
MAK-UNK-ec98eaf6-37
0.323
MAK-UNK-516d8086-26
0.319
GAB-REV-df64cf17-12
0.316
GAB-REV-df64cf17-21
0.316
LIZ-THE-7023c732-2
0.310
GAB-REV-df64cf17-7
0.308
PET-SGC-0f1d26ed-1
0.304
GAB-REV-df64cf17-2
0.303
BEN-DND-362d364a-3
0.299
THO-SYG-98fc3427-6
0.298
PET-SGC-34dcf0dc-1
0.298
THO-SYG-98fc3427-5
0.295
GAB-REV-df64cf17-4
0.294
TRY-UNI-1fd04853-2
0.292
JOR-UNI-61e7b1d5-1
0.292
JOR-UNI-61e7b1d5-13
0.291
SAD-SAT-cefd50cc-10
0.289
GAB-REV-df64cf17-14
0.288
GAB-REV-df64cf17-8
0.287
GAB-REV-df64cf17-13
0.286
NIR-THE-0d6461ce-7
0.286
GAB-REV-df64cf17-6
0.284
JOR-UNI-61e7b1d5-23
0.283
GAB-REV-df64cf17-22
0.277
JOR-UNI-61e7b1d5-4
0.277
JOR-UNI-61e7b1d5-15
0.277
AAR-POS-d2a4d1df-5
0.276
MAK-UNK-148caf23-4
0.275
JOR-UNI-61e7b1d5-29
0.274
JAN-GHE-fd8d85a5-11
0.274
JOR-UNI-61e7b1d5-21
0.273
JOR-UNI-61e7b1d5-27
0.272
JOR-UNI-61e7b1d5-8
0.271
MAR-TRE-8190bb11-86
0.271
GAB-REV-df64cf17-17
0.271
GAB-REV-df64cf17-18
0.267
JOR-UNI-61e7b1d5-17
0.267
GAB-REV-df64cf17-10
0.267
PAU-WEI-f734c343-3
0.266
JOR-UNI-61e7b1d5-19
0.265
GAB-REV-df64cf17-16
0.265
MED-COV-4280ac29-34
0.264
JOR-UNI-61e7b1d5-6
0.263
LIZ-THE-7023c732-1
0.261
JOR-UNI-61e7b1d5-31
0.261
JOR-UNI-61e7b1d5-25
0.256
JOR-UNI-61e7b1d5-11
0.252
MAK-UNK-ec98eaf6-15
0.248
GAB-REV-df64cf17-11
0.248
DAR-DIA-23aa0b97-4
0.247