Molecular Properties | |
SMILES: | CCNc1ncc(C#N)cc1N(C)c1cn(C(C)=O)c2ccccc12 |
MW: | 333.395 |
Fraction sp3: | 0.21 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 73.95 |
cLogP: | 3.76778 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
N-Acyl substituted azoheterocycles
AAR-POS-d2a4d1df-5
GAB-REV-df64cf17-17
0.437
GAB-REV-df64cf17-16
0.419
GAB-REV-df64cf17-11
0.381
GAB-REV-70cc3ca5-10
0.371
JOR-UNI-61e7b1d5-8
0.363
GAB-REV-df64cf17-4
0.350
JOR-UNI-61e7b1d5-29
0.349
JOR-UNI-61e7b1d5-27
0.345
JOR-UNI-61e7b1d5-31
0.345
JOR-UNI-61e7b1d5-13
0.343
JOR-UNI-61e7b1d5-4
0.339
JOR-UNI-61e7b1d5-15
0.339
JOR-UNI-61e7b1d5-19
0.339
JOR-UNI-61e7b1d5-17
0.339
JOR-UNI-61e7b1d5-25
0.339
JOR-UNI-61e7b1d5-21
0.336
JOR-UNI-61e7b1d5-6
0.336
JOR-UNI-61e7b1d5-23
0.333
JOR-UNI-61e7b1d5-11
0.331
JAN-GHE-fd8d85a5-1
0.330
JAN-GHE-fd8d85a5-4
0.326
PET-SGC-0f1d26ed-1
0.323
NIR-THE-0d6461ce-6
0.316
JAN-GHE-fd8d85a5-5
0.316
LIZ-THE-7023c732-2
0.315
GAB-REV-df64cf17-18
0.310
SAD-SAT-cefd50cc-10
0.306
JAN-GHE-fd8d85a5-6
0.306
GAB-REV-df64cf17-1
0.306
GAB-REV-df64cf17-14
0.305
TRY-UNI-1fd04853-1
0.303
PET-SGC-175e168c-1
0.303
GAB-REV-df64cf17-9
0.299
TRY-UNI-1fd04853-2
0.296
JOR-UNI-61e7b1d5-1
0.296
GAB-REV-df64cf17-21
0.293
MAK-UNK-516d8086-7
0.290
DAR-DIA-fb20be43-4
0.289
BRU-LEF-ae0885ba-1
0.289
PAU-UNI-52c0427f-1
0.289
MAK-UNK-ec98eaf6-37
0.288
PET-SGC-9a4d8c0f-1
0.287
MAK-UNK-ec98eaf6-15
0.284
SID-ELM-433ea7f3-1
0.284
MAK-UNK-516d8086-5
0.284
MAK-UNK-ec98eaf6-22
0.282
JAN-UNI-2e92c4b1-4
0.280
MED-COV-4280ac29-34
0.279
BEN-DND-362d364a-6
0.278
PET-SGC-90aed325-1
0.278
NIR-THE-0d6461ce-7
0.277
JAN-UNI-2e92c4b1-5
0.277
PET-SGC-39d74636-2
0.277
PET-SGC-0f1d26ed-2
0.277
JAN-UNI-2e92c4b1-3
0.277
PET-SGC-34dcf0dc-1
0.276
GAB-REV-df64cf17-7
0.275
SID-ELM-433ea7f3-4
0.275
PET-SGC-f147f0b6-1
0.272
THO-SYG-98fc3427-7
0.271
BEN-DND-362d364a-3
0.270
THO-SYG-98fc3427-6
0.269
SID-ELM-433ea7f3-3
0.269
MAR-TRE-0fda4e82-88
0.267
GAB-REV-df64cf17-19
0.267
MAK-UNK-516d8086-3
0.267
GAB-REV-df64cf17-15
0.265
BAR-COM-0f94fc3d-57
0.262
GAB-REV-df64cf17-3
0.260
GAB-REV-df64cf17-20
0.259
PAU-WEI-f734c343-3
0.259
KIM-UNI-7d12df64-2
0.258
GAB-REV-df64cf17-2
0.257
MAK-UNK-516d8086-13
0.257
MAK-UNK-516d8086-18
0.255
MAK-UNK-516d8086-19
0.255
LIZ-THE-7023c732-1
0.253
JAN-GHE-fd8d85a5-11
0.253
JAN-GHE-fd8d85a5-7
0.250
SID-ELM-433ea7f3-2
0.250
AAR-POS-d2a4d1df-5
0.250
MAK-UNK-516d8086-25
0.250
THO-SYG-98fc3427-4
0.248
BEN-DND-61647d40-3
0.248
MAK-UNK-516d8086-32
0.248
MAK-UNK-516d8086-9
0.248
MAK-UNK-516d8086-21
0.248
GAB-REV-df64cf17-12
0.245
THO-SYG-98fc3427-5
0.244
GAB-REV-df64cf17-8
0.243
BEN-DND-61647d40-4
0.241
GAB-REV-df64cf17-13
0.240
JOH-UNI-3fc3434e-9
0.239
JOH-UNI-ee5ed7c8-9
0.239
MAK-UNK-148caf23-4
0.238
MAR-TRE-0fda4e82-12
0.238
MAK-UNK-30aad1f1-9
0.236
THO-SYG-cc9e9a11-8
0.234
THO-SYG-cc9e9a11-4
0.234
MAK-UNK-516d8086-20
0.234