Molecular Properties | |
SMILES: | CCNc1ccc(C#N)cc1CN1CCN(C(C)=O)CC1 |
MW: | 286.379 |
Fraction sp3: | 0.5 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 59.37 |
cLogP: | 1.65418 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
DAR-DIA-fb20be43-3
0.766
JAN-GHE-fd8d85a5-9
0.719
JAN-GHE-fd8d85a5-8
0.667
KIM-UNI-7d12df64-1
0.615
JAN-GHE-fd8d85a5-10
0.615
TAM-UNI-d1c3dd9f-18
0.577
JAN-GHE-fd8d85a5-1
0.551
JAN-GHE-fd8d85a5-7
0.493
PAT-UNK-b2d83456-1
0.471
MAK-UNK-ec98eaf6-21
0.463
JAN-GHE-fd8d85a5-12
0.463
JAN-GHE-fd8d85a5-6
0.462
KIM-UNI-7d12df64-3
0.457
JON-UIO-066ce08b-10
0.455
SEL-UNI-cd366922-6
0.432
ANT-DIA-b7f58f21-8
0.429
ROB-UNI-b2e39629-1
0.429
DAR-DIA-fb20be43-4
0.423
PAU-UNI-52c0427f-1
0.423
BRU-LEF-ae0885ba-1
0.423
MAK-UNK-516d8086-31
0.420
TAM-UNI-d1c3dd9f-17
0.418
PAT-UNK-b2d83456-5
0.395
JOH-MSK-d60b0211-1
0.395
MAK-UNK-516d8086-4
0.393
JAN-GHE-fd8d85a5-2
0.393
JAN-GHE-fd8d85a5-5
0.388
JAN-GHE-fd8d85a5-4
0.383
CAM-STU-3ef21e73-1
0.378
DAR-DIA-fb20be43-6
0.373
DAV-CRI-d1e0885a-2
0.369
TAM-UNI-d1c3dd9f-1
0.363
DAR-DIA-fb20be43-16
0.363
MED-COV-4280ac29-24
0.361
PAT-UNK-b2d83456-2
0.360
PET-SGC-0f1d26ed-2
0.359
JAN-GHE-fd8d85a5-3
0.358
MAT-POS-2db6411e-1
0.353
DAR-DIA-fb20be43-1
0.349
MAK-UNK-6435e6c2-2
0.348
WIL-LEE-23e8b574-2
0.338
MAT-POS-ee51dedd-1
0.333
PAT-UNK-b2d83456-3
0.333
PAT-UNK-b2d83456-4
0.333
MAK-UNK-6435e6c2-3
0.333
BEN-VAN-d8fd1356-21
0.333
MAK-UNK-10dfa458-44
0.330
DAR-DIA-fb20be43-5
0.329
WIL-LEE-23e8b574-3
0.329
DRR-IMP-38dce17f-7
0.329
MAK-UNK-6ca90168-14
0.329
JAN-UNI-2e92c4b1-3
0.325
PET-SGC-39d74636-2
0.325
MAK-UNK-af83ef51-22
0.323
BEN-VAN-d8fd1356-20
0.321
WIL-LEE-23e8b574-4
0.320
MAK-UNK-849bee6c-20
0.320
MAK-UNK-7c9d1431-20
0.320
KIM-UNI-2ee5d8f9-1
0.319
MAK-UNK-10dfa458-13
0.316
ANT-DIA-b7f58f21-9
0.315
DAV-CRI-d1e0885a-3
0.314
JAN-GHE-1d98ec1c-2
0.312
SAD-SAT-f25ee457-4
0.312
BEN-VAN-d8fd1356-24
0.310
TAM-UNI-d1c3dd9f-16
0.310
TRY-UNI-9f475305-1
0.309
JOH-UNK-14e6adc5-6
0.309
MAK-UNK-849bee6c-23
0.307
DAV-CRI-d1e0885a-4
0.306
JAN-GHE-1d98ec1c-8
0.305
BEN-VAN-c986b20b-17
0.302
JON-UIO-066ce08b-16
0.301
JAN-GHE-1d98ec1c-1
0.301
JON-UIO-066ce08b-9
0.300
JON-UIO-066ce08b-11
0.300
WIL-LEE-1f71e281-1
0.299
SEA-TRI-f93fcab4-1
0.298
JOO-IND-6372a4f3-5
0.298
PET-SGC-0f1d26ed-1
0.298
BEN-VAN-c986b20b-13
0.297
SAD-SAT-24589cd1-9
0.296
HEI-REL-0c990a45-4
0.295
NIR-THE-d08c3b48-1
0.294
VLA-UCB-05e51b3f-1
0.294
ALP-POS-6747fa38-1
0.294
BEN-DND-6de5dfa0-11
0.294
NAU-LAT-a5c7d7cb-1
0.294
JAN-GHE-1d98ec1c-4
0.294
TAM-UNI-d1c3dd9f-13
0.292
NIR-THE-0d6461ce-6
0.292
NIR-THE-0d6461ce-7
0.292
BEN-VAN-c986b20b-4
0.292
NIM-UNI-02269248-3
0.292
STE-UNK-13e151dd-1
0.291
MAK-UNK-849bee6c-22
0.290
IND-SYN-2c708b29-4
0.290
ANU-UNK-2781581f-2
0.289
MAK-UNK-748f8b7a-6
0.289
DAR-DIA-fb20be43-17
0.289