Molecular Properties | |
SMILES: | CCNc1ncc(C#N)cc1Cc1ccc2c(n1)C(=O)NC2 |
MW: | 293.33 |
Fraction sp3: | 0.25 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 90.7 |
cLogP: | 1.61428 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
AAR-POS-d2a4d1df-30
MAK-UNK-516d8086-20
0.554
MAK-UNK-516d8086-3
0.529
GAB-REV-df64cf17-19
0.529
MAK-UNK-516d8086-21
0.488
MAK-UNK-516d8086-9
0.471
MAK-UNK-516d8086-13
0.466
MAK-UNK-516d8086-25
0.451
MAK-UNK-516d8086-5
0.438
MAK-UNK-516d8086-17
0.435
MAK-UNK-516d8086-10
0.429
MAK-UNK-516d8086-11
0.424
MAK-UNK-516d8086-7
0.416
MAK-UNK-516d8086-1
0.411
PET-SGC-f147f0b6-1
0.407
MAK-UNK-516d8086-18
0.383
PET-SGC-90aed325-1
0.383
BEN-DND-362d364a-6
0.383
JAN-UNI-2e92c4b1-4
0.381
PET-SGC-9a4d8c0f-1
0.380
MAK-UNK-516d8086-8
0.372
JAN-GHE-fd8d85a5-1
0.372
GAB-REV-df64cf17-20
0.371
GAB-REV-df64cf17-9
0.367
MAK-UNK-516d8086-23
0.347
JAN-UNI-2e92c4b1-3
0.345
PET-SGC-39d74636-2
0.345
GAB-REV-df64cf17-21
0.344
JAN-GHE-fd8d85a5-6
0.344
GAB-REV-df64cf17-1
0.344
MAK-UNK-ec98eaf6-22
0.344
BRU-LEF-ae0885ba-1
0.341
JAN-GHE-fd8d85a5-5
0.341
DAR-DIA-fb20be43-4
0.341
PAU-UNI-52c0427f-1
0.341
GAB-REV-df64cf17-15
0.340
PET-SGC-175e168c-1
0.340
TRY-UNI-1fd04853-1
0.340
JAN-GHE-fd8d85a5-4
0.337
THO-SYG-98fc3427-4
0.336
JAN-UNI-2e92c4b1-5
0.330
NIR-THE-0d6461ce-6
0.326
MAK-UNK-516d8086-2
0.326
THO-SYG-98fc3427-7
0.324
MAK-UNK-ec98eaf6-37
0.323
MAK-UNK-516d8086-4
0.320
MAK-UNK-516d8086-22
0.313
GAB-REV-df64cf17-17
0.298
PET-SGC-34dcf0dc-1
0.298
MAK-UNK-516d8086-24
0.297
JOR-UNI-61e7b1d5-21
0.296
LIZ-THE-7023c732-2
0.295
GAB-REV-df64cf17-3
0.293
MAK-UNK-516d8086-32
0.293
JOR-UNI-61e7b1d5-13
0.291
PET-SGC-0f1d26ed-1
0.290
GAB-REV-df64cf17-16
0.290
SAD-SAT-cefd50cc-10
0.289
MAK-UNK-516d8086-16
0.286
THO-SYG-98fc3427-5
0.283
JOR-UNI-61e7b1d5-8
0.283
MAK-UNK-516d8086-6
0.283
GAB-REV-df64cf17-4
0.282
TRY-UNI-1fd04853-2
0.278
JOR-UNI-61e7b1d5-1
0.278
BEN-DND-362d364a-3
0.277
GAB-REV-df64cf17-12
0.277
GAB-REV-df64cf17-2
0.277
JOR-UNI-61e7b1d5-15
0.277
AAR-POS-d2a4d1df-5
0.276
THO-SYG-98fc3427-6
0.276
GAB-REV-df64cf17-8
0.275
JOR-UNI-61e7b1d5-29
0.274
GAB-REV-df64cf17-13
0.273
JOR-UNI-61e7b1d5-27
0.272
JOR-UNI-61e7b1d5-23
0.272
GAB-REV-df64cf17-6
0.272
GAB-REV-df64cf17-7
0.271
GAB-REV-df64cf17-18
0.267
JOR-UNI-61e7b1d5-19
0.265
JOR-UNI-61e7b1d5-4
0.265
GAB-REV-df64cf17-14
0.264
MED-COV-4280ac29-34
0.264
JOR-UNI-61e7b1d5-6
0.263
JOR-UNI-61e7b1d5-31
0.261
JAN-GHE-fd8d85a5-11
0.260
NIR-THE-0d6461ce-7
0.260
GAB-REV-df64cf17-11
0.260
MAK-UNK-ec98eaf6-15
0.259
JOR-UNI-61e7b1d5-25
0.256
JOR-UNI-61e7b1d5-17
0.256
MAR-UNI-9d4da90d-2
0.256
GAB-REV-df64cf17-10
0.255
GAB-REV-df64cf17-22
0.252
MAK-UNK-516d8086-31
0.248
LIZ-THE-7023c732-1
0.247
SID-ELM-433ea7f3-1
0.245
MAK-UNK-148caf23-4
0.244
PAU-WEI-f734c343-3
0.243
JOR-UNI-61e7b1d5-11
0.242
MAK-UNK-148caf23-17
0.240