Molecular Properties | |
SMILES: | C=CC(=O)N1CCN(Cc2cccnc2)CC1 |
MW: | 231.14 |
Fraction sp3: | 0.38 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 36.44 |
cLogP: | 0.91 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Source | |
Enamine BB: | EN300-12866746 |
Mcule: | MCULE-3296218661 |
MolPort: | MolPort-020-372-052 |
AAR-POS-d2a4d1df-41
DRR-IMP-38dce17f-4
0.648
SAD-SAT-1f400d17-1
0.585
MAK-UNK-10dfa458-8
0.524
SAD-SAT-1f400d17-6
0.518
MAK-UNK-6ca90168-13
0.517
AHN-SAT-02ef6d10-10
0.517
ANT-OPE-d972fbad-1
0.509
MAK-UNK-10dfa458-1
0.500
MAK-UNK-10dfa458-2
0.492
ANT-OPE-c0c3e7cc-1
0.484
AHN-SAT-02ef6d10-6
0.483
SAD-SAT-581007d4-8
0.468
SAD-SAT-2ceae68f-8
0.439
SAD-SAT-b55127ae-10
0.429
SAD-SAT-f0a2747f-6
0.420
MAK-UNK-10dfa458-14
0.418
NIR-THE-b7e8e081-1
0.414
JOO-IND-6372a4f3-4
0.412
JOH-UNI-0e1753c1-2
0.391
DUN-NEW-d8381160-1
0.384
MAT-POS-4e253971-2
0.378
TOB-UNK-c2aba166-2
0.375
DRR-IMP-38dce17f-6
0.371
MAK-UNK-009ebe36-8
0.367
MAK-UNK-7c9d1431-24
0.361
DRR-IMP-38dce17f-3
0.361
MAT-POS-2db6411e-1
0.359
MAK-UNK-10dfa458-7
0.359
JAN-GHE-6413aaf8-9
0.359
JAN-GHE-d851b096-5
0.351
MAK-UNK-6ca90168-21
0.349
JOH-UNI-27ac80fd-3
0.348
SAD-SAT-b55127ae-1
0.348
MAK-UNK-10dfa458-10
0.348
MAK-UNK-10dfa458-9
0.348
MAK-UNK-af83ef51-1
0.347
JAN-GHE-bf40f168-9
0.346
MAK-UNK-6ca90168-16
0.345
SAD-SAT-f0a2747f-9
0.343
MAR-TRE-d3c2bf0e-55
0.339
SAD-SAT-135344c3-9
0.337
MED-COV-4280ac29-14
0.333
MAK-UNK-10dfa458-13
0.333
DAR-DIA-53551c05-5
0.333
JUL-TUD-06b2044f-128
0.333
JAN-GHE-6413aaf8-5
0.329
AAR-POS-d2a4d1df-35
0.328
MED-COV-4280ac29-15
0.328
JOH-UNI-0e1753c1-3
0.328
HYO-UNK-49a60884-1
0.328
MAK-UNK-6ca90168-12
0.328
JOH-UNI-27ac80fd-26
0.328
JAN-GHE-6413aaf8-7
0.326
JUL-TUD-06b2044f-126
0.325
WAR-XCH-79d12f6e-8
0.324
MAK-UNK-6ca90168-2
0.324
AAR-POS-d2a4d1df-24
0.324
PEI-IMP-3d837503-2
0.323
MAK-UNK-ca11b4f7-2
0.322
STE-KUL-2e0d2e88-3
0.320
JOH-UNI-23d9e1b1-1
0.319
DRR-IMP-38dce17f-2
0.319
AHN-SAT-02ef6d10-3
0.318
MAK-UNK-10dfa458-36
0.316
MAR-TRE-c8530538-63
0.315
PEI-IMP-ca0b2813-1
0.314
DRR-IMP-38dce17f-5
0.313
MAK-UNK-7c9d1431-29
0.312
STU-CHA-128b80be-2
0.310
AHN-SAT-02ef6d10-7
0.310
PAT-UNK-b2d83456-2
0.310
BEN-DND-03ad4429-7
0.309
JAG-SYN-9c2cd0bd-1
0.309
MAK-UNK-10dfa458-4
0.309
ALE-HEI-f28a35b5-16
0.309
MAK-UNK-849bee6c-9
0.309
PAU-UNI-8cdd41c7-1
0.308
NIM-UNI-bb9030bf-16
0.308
SEA-TRI-98d2cd42-1
0.308
MAR-TRE-fd17a9b8-44
0.307
JAN-GHE-1d98ec1c-8
0.307
SAD-SAT-6b5a89f0-9
0.306
MAK-UNK-849bee6c-12
0.306
JOK-SYG-18591e8f-1
0.306
MAT-POS-ea426761-26
0.305
DAV-IMP-59dd6621-23
0.304
MAR-TRE-66ac689e-34
0.304
MAT-POS-b5746674-127
0.303
MAT-POS-ee51dedd-1
0.301
PAT-UNK-b2d83456-3
0.301
MAR-TRE-b77b7921-70
0.301
SAD-SAT-2ceae68f-7
0.301
JAN-GHE-6413aaf8-1
0.301
MAK-UNK-10dfa458-5
0.300
BEN-DND-03ad4429-3
0.300
PAT-UNK-b2d83456-1
0.300
MAK-UNK-10dfa458-15
0.299
JUL-TUD-06b2044f-57
0.299
STE-KUL-2e0d2e88-7
0.299
AAR-POS-0daf6b7e-13
0.299