Molecular Properties | |
SMILES: | C=CC(=O)N1CCN(Cc2cnc(-c3ccccc3)nc2)CC1 |
MW: | 308.16 |
Fraction sp3: | 0.28 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 49.33 |
cLogP: | 1.97 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
LON-WEI-8f408cad-3
MAK-UNK-af83ef51-1
0.689
SAD-SAT-1f400d17-1
0.579
SAD-SAT-b55127ae-4
0.524
ANT-OPE-c0c3e7cc-1
0.485
MAK-UNK-10dfa458-1
0.476
AHN-SAT-02ef6d10-10
0.470
SAD-SAT-1f400d17-6
0.468
ANT-OPE-d972fbad-1
0.460
MAK-UNK-6ca90168-13
0.448
SAD-SAT-581007d4-8
0.448
MAK-UNK-10dfa458-2
0.424
AHN-SAT-02ef6d10-6
0.418
JOO-IND-6372a4f3-4
0.417
SAD-SAT-f0a2747f-6
0.405
SAD-SAT-2ceae68f-8
0.403
SAD-SAT-b55127ae-10
0.391
MAT-POS-4e253971-2
0.367
NIR-THE-b7e8e081-1
0.364
MAK-UNK-6ca90168-12
0.358
MAK-UNK-10dfa458-9
0.356
PEI-IMP-3d837503-2
0.353
DRR-IMP-38dce17f-3
0.348
MAK-UNK-7c9d1431-24
0.348
MAK-UNK-10dfa458-14
0.341
TOB-UNK-c2aba166-2
0.339
JOH-UNI-0e1753c1-2
0.338
JAN-GHE-6413aaf8-9
0.333
MAK-UNK-10dfa458-7
0.333
MED-COV-4280ac29-25
0.329
MAR-TRE-66ac689e-34
0.329
MAK-UNK-10dfa458-13
0.326
MED-COV-4280ac29-14
0.324
JAN-GHE-bf40f168-9
0.321
DRR-IMP-38dce17f-4
0.319
JOH-UNI-27ac80fd-3
0.319
MAK-UNK-6ca90168-21
0.319
STU-CHA-128b80be-2
0.319
MAT-POS-2db6411e-1
0.318
SAD-SAT-f0a2747f-9
0.316
MAK-UNK-6ca90168-2
0.316
DAV-IMP-59dd6621-23
0.315
JAG-SYN-9c2cd0bd-3
0.311
AHN-SAT-02ef6d10-3
0.310
JAN-GHE-6413aaf8-5
0.308
DRR-IMP-38dce17f-5
0.306
JAN-GHE-6413aaf8-7
0.304
SAD-SAT-b55127ae-1
0.303
SEA-TRI-98d2cd42-1
0.302
JAG-SYN-9c2cd0bd-1
0.301
DRR-IMP-38dce17f-6
0.300
JOH-UNI-27ac80fd-26
0.300
MED-COV-4280ac29-8
0.298
MAK-UNK-009ebe36-8
0.295
STE-KUL-2e0d2e88-7
0.293
MAK-UNK-849bee6c-7
0.291
MAK-UNK-6ca90168-16
0.290
MAK-UNK-6435e6c2-3
0.290
MAR-TRE-66ac689e-43
0.289
MAK-UNK-849bee6c-9
0.287
GIA-UNK-5ec6c2b8-3
0.286
MAK-UNK-212f693e-6
0.286
MAK-UNK-10dfa458-10
0.286
MED-COV-4280ac29-19
0.284
JAN-GHE-1d98ec1c-8
0.284
AHN-SAT-02ef6d10-4
0.284
MAK-UNK-10dfa458-4
0.284
BEN-DND-03ad4429-7
0.284
JAN-GHE-6413aaf8-1
0.283
MAK-UNK-10dfa458-15
0.282
AHN-SAT-02ef6d10-7
0.281
JAN-GHE-fd8d85a5-2
0.281
JAN-GHE-6413aaf8-8
0.280
AAR-POS-d2a4d1df-24
0.280
EDJ-MED-3c65e9ce-3
0.279
SAD-SAT-1f400d17-10
0.278
KIM-UNI-2ee5d8f9-1
0.278
SAD-SAT-f0a2747f-4
0.278
MAK-UNK-212f693e-7
0.278
BEN-DND-03ad4429-3
0.276
MAK-UNK-10dfa458-5
0.276
JOH-UNI-23d9e1b1-1
0.276
DRR-IMP-38dce17f-2
0.276
LON-WEI-8f408cad-7
0.274
MAK-UNK-212f693e-8
0.274
AAR-POS-0daf6b7e-13
0.274
MAK-UNK-af83ef51-10
0.274
MAR-TRE-0fda4e82-52
0.273
BEN-DND-6de5dfa0-2
0.273
MAK-UNK-e4a48a85-21
0.273
BEN-DND-09b88bf4-1
0.273
SAD-SAT-6b5a89f0-9
0.273
JAN-GHE-6413aaf8-6
0.272
MAK-UNK-10dfa458-20
0.270
MAK-UNK-10dfa458-18
0.270
MAR-TRE-dab8f6ea-5
0.270
ANU-UNK-2781581f-2
0.270
JOH-UNI-27ac80fd-34
0.269
PAT-UNK-b2d83456-2
0.269
BEN-DND-09b88bf4-7
0.269
MAK-UNK-849bee6c-5
0.269