Molecular Properties | |
SMILES: | CCNc1ncc(C#N)cc1CN1CCN(C(C)=O)CC1 |
MW: | 287.367 |
Fraction sp3: | 0.53 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 72.26 |
cLogP: | 1.04918 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
JAN-GHE-fd8d85a5-6
0.823
PAU-UNI-52c0427f-1
0.774
BRU-LEF-ae0885ba-1
0.774
DAR-DIA-fb20be43-4
0.774
JAN-GHE-fd8d85a5-5
0.667
JAN-GHE-fd8d85a5-4
0.657
PET-SGC-39d74636-2
0.641
JAN-UNI-2e92c4b1-3
0.641
KIM-UNI-7d12df64-2
0.551
DAR-DIA-fb20be43-1
0.521
JAN-GHE-fd8d85a5-3
0.514
DAR-DIA-fb20be43-5
0.514
NIR-THE-0d6461ce-6
0.481
JAN-GHE-fd8d85a5-2
0.468
MAK-UNK-ec98eaf6-22
0.463
JAN-GHE-fd8d85a5-8
0.453
JAN-GHE-fd8d85a5-9
0.453
PET-SGC-9a4d8c0f-1
0.448
DAR-DIA-fb20be43-3
0.436
BEN-DND-362d364a-6
0.429
PET-SGC-90aed325-1
0.429
DAV-CRI-d1e0885a-2
0.425
KIM-UNI-7d12df64-1
0.425
JAN-GHE-fd8d85a5-10
0.425
JAN-UNI-2e92c4b1-5
0.419
MAK-UNK-ec98eaf6-37
0.417
MAK-UNK-516d8086-5
0.415
PAT-UNK-b2d83456-1
0.414
JON-UIO-066ce08b-10
0.405
TAM-UNI-d1c3dd9f-18
0.405
JOH-MSK-d60b0211-1
0.400
PAT-UNK-b2d83456-5
0.400
BEN-DND-362d364a-3
0.400
JAN-GHE-fd8d85a5-12
0.400
PET-SGC-f147f0b6-1
0.397
GAB-REV-df64cf17-1
0.395
DAR-DIA-fb20be43-17
0.393
GAB-REV-df64cf17-15
0.390
TRY-UNI-1fd04853-1
0.390
PET-SGC-175e168c-1
0.390
NIR-THE-0d6461ce-7
0.390
MAK-UNK-516d8086-3
0.388
GAB-REV-df64cf17-19
0.388
GAB-REV-df64cf17-9
0.388
JAN-UNI-2e92c4b1-4
0.387
JAN-GHE-fd8d85a5-7
0.382
JOH-UNK-14e6adc5-6
0.382
MAK-UNK-516d8086-25
0.379
MAK-UNK-516d8086-13
0.376
MAK-UNK-516d8086-19
0.372
TAM-UNI-d1c3dd9f-17
0.370
PET-SGC-0f1d26ed-1
0.367
DAV-CRI-d1e0885a-3
0.366
KIM-UNI-7d12df64-3
0.365
MAK-UNK-516d8086-9
0.365
MAK-UNK-516d8086-21
0.365
JAN-GHE-fd8d85a5-11
0.362
MAK-UNK-516d8086-20
0.360
PET-SGC-34dcf0dc-1
0.358
BEN-VAN-d8fd1356-21
0.354
SEL-UNI-cd366922-6
0.346
DAR-DIA-fb20be43-6
0.345
GAB-REV-df64cf17-21
0.345
THO-SYG-98fc3427-5
0.343
MAR-UNI-9d4da90d-6
0.342
BEN-VAN-d8fd1356-20
0.341
PAU-WEI-f734c343-3
0.340
MED-COV-4280ac29-35
0.337
MED-COV-4280ac29-34
0.337
JOR-UNI-61e7b1d5-15
0.337
MAK-UNK-849bee6c-23
0.337
THO-SYG-98fc3427-4
0.337
JOR-UNI-61e7b1d5-1
0.333
TRY-UNI-1fd04853-2
0.333
GAB-REV-df64cf17-7
0.333
WIL-LEE-23e8b574-3
0.333
GAB-REV-df64cf17-10
0.330
BEN-VAN-c986b20b-13
0.330
SAD-SAT-cefd50cc-10
0.329
BEN-VAN-d8fd1356-24
0.329
TAM-UNI-d1c3dd9f-16
0.329
PAT-UNK-b2d83456-2
0.329
BEN-VAN-c986b20b-5
0.326
BEN-VAN-c986b20b-4
0.326
MAK-UNK-516d8086-7
0.326
GAB-REV-df64cf17-17
0.325
DAV-CRI-d1e0885a-4
0.325
WIL-LEE-23e8b574-2
0.324
KIM-UNI-2ee5d8f9-1
0.324
THO-SYG-98fc3427-7
0.324
MAK-UNK-849bee6c-21
0.323
TAM-UNI-d1c3dd9f-1
0.323
DAR-DIA-fb20be43-16
0.323
BEN-VAN-c986b20b-2
0.321
BEN-VAN-c986b20b-3
0.321
THO-SYG-98fc3427-6
0.320
JOR-UNI-61e7b1d5-29
0.320
MAK-UNK-6435e6c2-3
0.319
MAK-UNK-516d8086-32
0.318
MED-COV-4280ac29-24
0.318