Molecular Properties | |
SMILES: | C=CC(=O)Nc1cccc(CN2CCN(c3ccccn3)CC2)c1 |
MW: | 322.18 |
Fraction sp3: | 0.26 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 48.47 |
cLogP: | 2.53 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Source | |
Enamine BB: | EN300-26590554 |
Enamine SCR: | Z2517209654 |
Enamine REAL: | Z2517209654 |
Mcule: | MCULE-4709461938 |
AAR-POS-0daf6b7e-1
MAK-UNK-987948f6-11
0.389
SAD-SAT-5b1897b2-3
0.377
WIL-UNI-5578df48-30
0.368
MED-COV-4280ac29-1
0.356
MAK-UNK-10dfa458-3
0.345
JOO-IND-6372a4f3-1
0.337
RAL-MED-2de63afb-9
0.329
MAK-UNK-e4a48a85-8
0.327
FRA-BIO-8bf1eac9-4
0.327
MAK-UNK-849bee6c-4
0.327
SAD-SAT-135344c3-9
0.327
MAK-UNK-6ca90168-13
0.325
AHN-SAT-02ef6d10-10
0.325
BAR-COM-4e090d3a-61
0.320
MAR-TRE-799db12b-40
0.316
MAR-TRE-74c6519b-36
0.314
MAR-TRE-66ac689e-31
0.312
MAK-UNK-849bee6c-3
0.311
RED-RED-10c9212c-24
0.308
SAD-SAT-b55127ae-4
0.298
LON-WEI-af038623-8
0.296
MAR-TRE-92684b97-6
0.296
MAT-POS-b5746674-99
0.295
MAK-UNK-ca11b4f7-2
0.293
SAD-SAT-1f400d17-1
0.287
SAD-SAT-7d5528d9-6
0.287
JAN-GHE-1d98ec1c-8
0.286
JOH-UNI-0e1753c1-2
0.286
JOK-SYG-18591e8f-1
0.284
LON-WEI-d1c9908a-6
0.283
MAK-UNK-009ebe36-8
0.283
AAR-POS-d2a4d1df-24
0.282
SAD-SAT-7d5528d9-35
0.282
JUA-UNI-bc099708-5
0.280
SAD-SAT-7d5528d9-1
0.280
MAK-UNK-10dfa458-8
0.278
SAD-SAT-7d5528d9-2
0.277
MAK-UNK-af83ef51-10
0.277
LON-WEI-b8d98729-38
0.275
MAK-UNK-e4a48a85-17
0.274
DAV-IMP-59dd6621-6
0.274
SAD-SAT-7d5528d9-7
0.272
MAK-UNK-849bee6c-5
0.272
HYO-UNK-49a60884-1
0.271
MED-COV-4280ac29-15
0.271
AAR-POS-d2a4d1df-35
0.271
JOH-UNI-0e1753c1-3
0.271
MAR-TRE-799db12b-14
0.270
SEA-TRI-9e600f3c-1
0.267
LON-WEI-b8d98729-16
0.267
PAT-UNK-b2d83456-3
0.267
MAR-TRE-a9136c7b-11
0.267
MAK-UNK-849bee6c-7
0.265
DAV-IMP-59dd6621-1
0.265
PAT-UNK-b2d83456-1
0.264
MAK-UNK-c8c8f7e2-27
0.264
JOH-UNI-23d9e1b1-1
0.264
DRR-IMP-38dce17f-2
0.264
MAK-UNK-849bee6c-8
0.264
WIL-LEE-23e8b574-3
0.264
JAN-GHE-1d98ec1c-2
0.264
MAR-TRE-f5c2d31c-63
0.264
ERI-BAS-bd3ef700-1
0.263
MAK-UNK-849bee6c-9
0.263
WIL-UNI-5578df48-29
0.262
MAK-UNK-849bee6c-13
0.262
ANT-OPE-c0c3e7cc-1
0.261
MAK-UNK-a7992eb3-16
0.261
WIL-UNI-5578df48-26
0.260
MAK-UNK-849bee6c-6
0.260
MAK-UNK-10dfa458-14
0.260
MAK-UNK-987948f6-10
0.260
DRR-IMP-38dce17f-5
0.259
LON-WEI-b8d98729-17
0.259
LON-WEI-b8d98729-15
0.259
MAK-UNK-10799360-32
0.259
PAT-UNK-b2d83456-2
0.258
SEA-TRI-2dd971ce-1
0.258
SEA-TRI-f93fcab4-1
0.257
AHN-SAT-02ef6d10-2
0.256
VIT-UNK-2a0afa28-3
0.255
SEA-TRI-146a67b6-1
0.255
BAR-COM-21d20d65-1
0.255
MAR-TRE-f5c2d31c-39
0.255
MAR-TRE-04c86cea-42
0.254
SAD-SAT-1f400d17-6
0.253
MAK-UNK-c8c8f7e2-10
0.253
MAK-UNK-7a704a63-5
0.253
SAD-SAT-2ceae68f-8
0.253
JOH-UNI-0e1753c1-1
0.253
MAT-POS-ee51dedd-1
0.253
BAR-COM-21d20d65-9
0.253
BAR-COM-21d20d65-8
0.253
SAD-SAT-135344c3-7
0.252
MAR-TRE-799db12b-76
0.252
SAD-SAT-7d5528d9-3
0.252
MAK-UNK-987948f6-12
0.252
NIM-UNI-310206f0-22
0.252
JUA-UNI-a9dfaed1-7
0.252
NIM-UNI-310206f0-21
0.252