Molecular Properties | |
SMILES: | CCNc1ncc(C#N)cc1Cc1cnc2c(c1)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-516d8086-3
0.600
GAB-REV-df64cf17-19
0.600
MAK-UNK-516d8086-9
0.537
MAK-UNK-516d8086-13
0.530
MAK-UNK-516d8086-20
0.512
MAK-UNK-516d8086-5
0.500
MAK-UNK-516d8086-19
0.488
MAK-UNK-516d8086-10
0.488
MAK-UNK-516d8086-11
0.483
MAK-UNK-516d8086-17
0.477
MAK-UNK-516d8086-25
0.461
MAK-UNK-516d8086-1
0.453
PET-SGC-f147f0b6-1
0.418
MAK-UNK-516d8086-8
0.411
MAK-UNK-516d8086-18
0.391
JAN-UNI-2e92c4b1-4
0.390
GAB-REV-df64cf17-20
0.379
PET-SGC-175e168c-1
0.378
MAK-UNK-516d8086-7
0.378
TRY-UNI-1fd04853-1
0.378
BEN-DND-362d364a-6
0.375
PET-SGC-90aed325-1
0.375
PET-SGC-9a4d8c0f-1
0.372
JAN-UNI-2e92c4b1-5
0.369
JAN-GHE-fd8d85a5-1
0.365
MAK-UNK-516d8086-2
0.363
NIR-THE-0d6461ce-6
0.363
GAB-REV-df64cf17-9
0.360
MAK-UNK-516d8086-4
0.355
MAK-UNK-516d8086-23
0.354
JAN-UNI-2e92c4b1-3
0.353
PET-SGC-39d74636-2
0.353
GAB-REV-df64cf17-1
0.352
PAU-UNI-52c0427f-1
0.348
BRU-LEF-ae0885ba-1
0.348
DAR-DIA-fb20be43-4
0.348
JAN-GHE-fd8d85a5-5
0.348
MAK-UNK-516d8086-22
0.347
JAN-GHE-fd8d85a5-4
0.344
JAN-GHE-fd8d85a5-6
0.337
THO-SYG-98fc3427-7
0.330
THO-SYG-98fc3427-4
0.330
MAK-UNK-516d8086-32
0.326
MAK-UNK-ec98eaf6-22
0.323
GAB-REV-df64cf17-15
0.319
MAK-UNK-516d8086-16
0.319
LIZ-THE-7023c732-2
0.318
MAK-UNK-ec98eaf6-37
0.316
GAB-REV-df64cf17-3
0.312
GAB-REV-df64cf17-21
0.309
PET-SGC-34dcf0dc-1
0.304
MAK-UNK-516d8086-24
0.303
GAB-REV-df64cf17-4
0.300
PET-SGC-0f1d26ed-1
0.297
GAB-REV-df64cf17-2
0.296
BEN-DND-362d364a-3
0.293
MAK-UNK-516d8086-6
0.289
JOR-UNI-61e7b1d5-13
0.284
TRY-UNI-1fd04853-2
0.284
JOR-UNI-61e7b1d5-1
0.284
GAB-REV-df64cf17-14
0.282
SAD-SAT-cefd50cc-10
0.281
GAB-REV-df64cf17-8
0.280
GAB-REV-df64cf17-13
0.278
MAK-UNK-516d8086-31
0.278
NIR-THE-0d6461ce-7
0.278
THO-SYG-98fc3427-5
0.277
GAB-REV-df64cf17-17
0.277
JOR-UNI-61e7b1d5-4
0.270
GAB-REV-df64cf17-12
0.270
THO-SYG-98fc3427-6
0.270
LIZ-THE-7023c732-1
0.267
AAR-POS-d2a4d1df-5
0.267
JAN-GHE-fd8d85a5-11
0.266
JOR-UNI-61e7b1d5-23
0.265
GAB-REV-df64cf17-6
0.265
GAB-REV-df64cf17-7
0.264
GAB-REV-df64cf17-18
0.260
JOR-UNI-61e7b1d5-15
0.259
GAB-REV-df64cf17-22
0.257
GAB-REV-df64cf17-16
0.257
JOR-UNI-61e7b1d5-6
0.257
JOR-UNI-61e7b1d5-21
0.255
JOR-UNI-61e7b1d5-27
0.254
JOR-UNI-61e7b1d5-8
0.252
JOR-UNI-61e7b1d5-17
0.250
SID-ELM-433ea7f3-1
0.250
JOR-UNI-61e7b1d5-19
0.248
GAB-REV-df64cf17-10
0.248
MAR-UNI-9d4da90d-2
0.247
JOR-UNI-61e7b1d5-29
0.246
MED-COV-4280ac29-34
0.245
MAK-UNK-516d8086-26
0.245
JOR-UNI-61e7b1d5-31
0.243
MAK-UNK-ec98eaf6-15
0.241
GAB-REV-df64cf17-11
0.240
JOR-UNI-61e7b1d5-25
0.239
MAK-UNK-148caf23-4
0.238
TRY-UNI-bbd40bb4-1
0.238
PET-SGC-0f1d26ed-2
0.237