Molecular Properties | |
SMILES: | CCNc1ncc(C#N)cc1CN1CC2(C1)CN(C(C)=O)C2 |
MW: | 299.378 |
Fraction sp3: | 0.56 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 72.26 |
cLogP: | 1.04918 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
JAN-GHE-fd8d85a5-1
0.657
JAN-GHE-fd8d85a5-5
0.620
JAN-GHE-fd8d85a5-6
0.595
DAR-DIA-fb20be43-4
0.554
BRU-LEF-ae0885ba-1
0.554
PAU-UNI-52c0427f-1
0.554
PET-SGC-39d74636-2
0.528
JAN-UNI-2e92c4b1-3
0.528
MAK-UNK-ec98eaf6-22
0.435
NIR-THE-0d6461ce-6
0.434
PET-SGC-90aed325-1
0.419
BEN-DND-362d364a-6
0.419
PET-SGC-9a4d8c0f-1
0.417
MAK-UNK-516d8086-5
0.391
KIM-UNI-7d12df64-2
0.383
BEN-DND-362d364a-3
0.381
GAB-REV-df64cf17-9
0.381
MAK-UNK-ec98eaf6-37
0.378
JAN-UNI-2e92c4b1-5
0.375
GAB-REV-df64cf17-1
0.372
PET-SGC-f147f0b6-1
0.372
PET-SGC-175e168c-1
0.368
TRY-UNI-1fd04853-1
0.368
DAR-DIA-fb20be43-1
0.365
JAN-UNI-2e92c4b1-4
0.362
DAR-DIA-fb20be43-5
0.360
GAB-REV-df64cf17-19
0.352
MAK-UNK-516d8086-3
0.352
PET-SGC-0f1d26ed-1
0.345
MAK-UNK-516d8086-9
0.344
MAK-UNK-516d8086-21
0.344
MAK-UNK-516d8086-25
0.344
MAK-UNK-516d8086-13
0.341
MAK-UNK-516d8086-20
0.341
PET-SGC-34dcf0dc-1
0.337
GAB-REV-df64cf17-15
0.337
NIR-THE-0d6461ce-7
0.337
MAK-UNK-516d8086-19
0.337
THO-SYG-98fc3427-7
0.333
THO-SYG-98fc3427-4
0.333
THO-SYG-98fc3427-6
0.330
DAR-DIA-fb20be43-3
0.330
THO-SYG-98fc3427-5
0.327
GAB-REV-df64cf17-10
0.326
GAB-REV-df64cf17-21
0.326
JAN-GHE-fd8d85a5-11
0.326
JAN-GHE-fd8d85a5-3
0.326
JAN-GHE-fd8d85a5-7
0.325
DAV-CRI-d1e0885a-2
0.322
GAB-REV-df64cf17-17
0.322
JOR-UNI-61e7b1d5-1
0.315
TRY-UNI-1fd04853-2
0.315
JAN-GHE-fd8d85a5-9
0.310
JOH-UNK-14e6adc5-6
0.310
JOR-UNI-61e7b1d5-15
0.308
JOR-UNI-61e7b1d5-4
0.308
JON-UIO-066ce08b-10
0.303
DAR-DIA-fb20be43-17
0.303
JOR-UNI-61e7b1d5-23
0.302
MAK-UNK-516d8086-32
0.301
JAN-GHE-fd8d85a5-2
0.301
SID-ELM-433ea7f3-1
0.300
JOR-UNI-61e7b1d5-13
0.298
PAU-WEI-f734c343-3
0.297
SAD-SAT-cefd50cc-10
0.297
JOR-UNI-61e7b1d5-17
0.296
JAN-GHE-fd8d85a5-8
0.295
MED-COV-4280ac29-34
0.294
MAK-UNK-516d8086-7
0.293
JOR-UNI-61e7b1d5-6
0.292
JOR-UNI-61e7b1d5-29
0.292
MAK-UNK-ec98eaf6-23
0.292
GAB-REV-df64cf17-7
0.290
JOR-UNI-61e7b1d5-27
0.290
JOR-UNI-61e7b1d5-31
0.290
LIZ-THE-7023c732-2
0.289
MAR-UNI-9d4da90d-6
0.289
TAM-UNI-d1c3dd9f-18
0.289
AAR-POS-d2a4d1df-5
0.286
JOR-UNI-61e7b1d5-25
0.284
GAB-REV-df64cf17-16
0.284
MAK-UNK-516d8086-10
0.281
MAK-UNK-516d8086-18
0.281
JOR-UNI-61e7b1d5-21
0.279
MAR-UNI-9d4da90d-2
0.278
MAK-UNK-516d8086-11
0.278
JAN-GHE-fd8d85a5-12
0.278
JOR-UNI-61e7b1d5-8
0.277
MAK-UNK-516d8086-1
0.277
GAB-REV-df64cf17-4
0.276
MAK-UNK-516d8086-17
0.276
MAK-UNK-ec98eaf6-15
0.275
SID-ELM-433ea7f3-2
0.274
GAB-REV-df64cf17-20
0.273
DAV-CRI-d1e0885a-3
0.272
JOR-UNI-61e7b1d5-19
0.271
PAT-UNK-b2d83456-1
0.268
KIM-UNI-7d12df64-1
0.267
JAN-GHE-fd8d85a5-10
0.267
JOR-UNI-61e7b1d5-11
0.267