Molecular Properties | |
SMILES: | CCNc1ncc(C#N)cc1Cc1cc2c(cn1)CNC2=O |
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
GAB-REV-df64cf17-19
0.593
MAK-UNK-516d8086-3
0.593
MAK-UNK-516d8086-19
0.554
MAK-UNK-516d8086-25
0.523
MAK-UNK-516d8086-21
0.512
MAK-UNK-516d8086-10
0.500
MAK-UNK-516d8086-17
0.489
MAK-UNK-516d8086-11
0.477
MAK-UNK-516d8086-7
0.471
MAK-UNK-516d8086-1
0.465
MAK-UNK-516d8086-9
0.460
PET-SGC-f147f0b6-1
0.449
MAK-UNK-516d8086-13
0.438
GAB-REV-df64cf17-20
0.435
MAK-UNK-516d8086-18
0.433
MAK-UNK-516d8086-5
0.427
MAK-UNK-516d8086-8
0.422
MAK-UNK-516d8086-23
0.379
MAK-UNK-516d8086-2
0.374
PET-SGC-90aed325-1
0.370
BEN-DND-362d364a-6
0.370
JAN-UNI-2e92c4b1-4
0.369
PET-SGC-9a4d8c0f-1
0.367
MAK-UNK-516d8086-4
0.366
JAN-UNI-2e92c4b1-3
0.365
PET-SGC-39d74636-2
0.365
JAN-GHE-fd8d85a5-1
0.360
PAU-UNI-52c0427f-1
0.360
DAR-DIA-fb20be43-4
0.360
BRU-LEF-ae0885ba-1
0.360
NIR-THE-0d6461ce-6
0.359
MAK-UNK-516d8086-22
0.358
GAB-REV-df64cf17-9
0.356
MAK-UNK-ec98eaf6-37
0.354
THO-SYG-98fc3427-4
0.352
GAB-REV-df64cf17-1
0.348
JAN-GHE-fd8d85a5-5
0.344
JAN-GHE-fd8d85a5-4
0.341
MAK-UNK-ec98eaf6-22
0.333
JAN-GHE-fd8d85a5-6
0.333
JAN-UNI-2e92c4b1-5
0.333
MAK-UNK-516d8086-16
0.330
TRY-UNI-1fd04853-1
0.330
PET-SGC-175e168c-1
0.330
GAB-REV-df64cf17-15
0.330
THO-SYG-98fc3427-7
0.327
MAK-UNK-516d8086-24
0.327
MAK-UNK-516d8086-6
0.326
GAB-REV-df64cf17-21
0.319
LIZ-THE-7023c732-2
0.299
JOR-UNI-61e7b1d5-1
0.295
THO-SYG-98fc3427-6
0.289
NIR-THE-0d6461ce-7
0.289
PET-SGC-34dcf0dc-1
0.287
THO-SYG-98fc3427-5
0.286
MAK-UNK-516d8086-32
0.283
GAB-REV-df64cf17-3
0.283
PAU-WEI-f734c343-3
0.280
GAB-REV-df64cf17-2
0.280
BEN-DND-362d364a-3
0.280
PET-SGC-0f1d26ed-1
0.280
SAD-SAT-cefd50cc-10
0.278
GAB-REV-df64cf17-6
0.275
JOR-UNI-61e7b1d5-13
0.270
GAB-REV-df64cf17-18
0.270
TRY-UNI-1fd04853-2
0.268
GAB-REV-df64cf17-22
0.267
GAB-REV-df64cf17-14
0.267
GAB-REV-df64cf17-8
0.265
LIZ-THE-7023c732-1
0.264
JOR-UNI-61e7b1d5-23
0.263
JAN-GHE-fd8d85a5-11
0.263
AAR-POS-d2a4d1df-5
0.263
GAB-REV-df64cf17-13
0.263
GAB-REV-df64cf17-17
0.260
GAB-REV-df64cf17-4
0.260
JOR-UNI-61e7b1d5-15
0.257
GAB-REV-df64cf17-12
0.255
GAB-REV-df64cf17-16
0.255
MED-COV-4280ac29-34
0.255
JOR-UNI-61e7b1d5-6
0.254
JOR-UNI-61e7b1d5-29
0.254
JOR-UNI-61e7b1d5-21
0.252
JOR-UNI-61e7b1d5-27
0.252
JOR-UNI-61e7b1d5-8
0.250
GAB-REV-df64cf17-7
0.250
JOR-UNI-61e7b1d5-25
0.248
MAK-UNK-148caf23-4
0.246
JOR-UNI-61e7b1d5-4
0.246
JOR-UNI-61e7b1d5-19
0.246
MAR-UNI-9d4da90d-2
0.244
DAR-DIA-fb20be43-5
0.242
JOR-UNI-61e7b1d5-31
0.241
MAK-UNK-ec98eaf6-15
0.239
MAK-UNK-ec98eaf6-23
0.238
GAB-REV-df64cf17-11
0.238
MAK-UNK-516d8086-31
0.238
JOR-UNI-61e7b1d5-17
0.237
SID-ELM-433ea7f3-2
0.237
SID-ELM-433ea7f3-1
0.236