Molecular Properties | |
SMILES: | C=CC(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1 |
MW: | 294.14 |
Fraction sp3: | 0.22 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 40.62 |
cLogP: | 2.31 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
AAR-POS-d2a4d1df-24
MAK-UNK-6ca90168-1
0.661
JOO-IND-6372a4f3-4
0.471
JAR-IMP-ed466bb3-3
0.412
MED-COV-4280ac29-14
0.394
MAK-UNK-6ca90168-21
0.391
MAT-POS-4e253971-2
0.377
SAD-SAT-1f400d17-1
0.375
STE-KUL-2e0d2e88-2
0.372
MAK-UNK-6ca90168-12
0.369
JOH-UNI-27ac80fd-26
0.369
SAD-SAT-b55127ae-1
0.366
AHN-SAT-02ef6d10-3
0.358
MAK-UNK-6ca90168-13
0.357
MAR-UCB-f313ec4d-6
0.355
ANT-OPE-bf404da3-1
0.342
AHN-SAT-02ef6d10-10
0.338
SAD-SAT-1f400d17-10
0.338
MAT-POS-54c4bf04-3
0.337
MAK-UNK-10dfa458-2
0.333
JAG-SYN-9c2cd0bd-1
0.329
SAD-SAT-1f400d17-6
0.328
SAD-SAT-b55127ae-4
0.324
PEI-IMP-3d837503-2
0.324
ANT-OPE-d972fbad-1
0.324
MAK-UNK-6ca90168-16
0.322
JAG-SYN-9c2cd0bd-3
0.319
MAK-UNK-10dfa458-1
0.319
JON-UNI-bb9dc649-12
0.316
MAK-UNK-10dfa458-8
0.316
ANT-OPE-c0c3e7cc-1
0.315
JON-UNI-bb9dc649-16
0.314
KRI-MAR-d2e3ef86-6
0.311
MAK-UNK-10dfa458-9
0.311
MAK-UNK-ec98eaf6-19
0.310
SAD-SAT-f0a2747f-6
0.308
SAD-SAT-b55127ae-10
0.306
DAV-IMP-59dd6621-23
0.306
JON-UNI-bb9dc649-10
0.305
SAD-SAT-581007d4-8
0.301
MAK-UNK-10dfa458-5
0.301
BEN-DND-03ad4429-3
0.301
DRV-DNY-ae159ed1-19
0.301
JOO-IND-6372a4f3-5
0.300
MED-COV-4280ac29-31
0.299
AAR-POS-d2a4d1df-40
0.299
MAK-UNK-212f693e-24
0.296
DRR-IMP-db50bf6e-4
0.295
MIC-UNK-a28eba03-2
0.295
MAK-UNK-10dfa458-7
0.294
JAN-GHE-6413aaf8-9
0.294
UNK-UNK-2ede4078-86
0.294
MAK-UNK-10dfa458-10
0.293
MAK-UNK-10dfa458-4
0.292
BEN-DND-03ad4429-7
0.292
MED-COV-4280ac29-32
0.291
AHN-SAT-02ef6d10-7
0.290
EDJ-MED-78f964c8-1
0.289
MAT-POS-916a2c5a-4
0.289
JON-UNI-bb9dc649-7
0.287
JOO-IND-6372a4f3-6
0.287
MIC-UNK-b9827f26-1
0.286
TOB-UNK-c2aba166-2
0.286
ERI-UCB-d6de1f3c-2
0.286
ERI-UCB-a0b0dbcb-12
0.286
JAN-GHE-6413aaf8-5
0.286
SAD-SAT-2ceae68f-8
0.286
BEN-DND-7e92b6ca-6
0.284
SAD-SAT-6b5a89f0-9
0.283
SAD-SAT-b55127ae-8
0.282
UNK-UNK-2ede4078-53
0.282
MIC-UNK-b9827f26-2
0.281
BEN-DND-7e92b6ca-10
0.279
KRI-MAR-d2e3ef86-5
0.279
MAK-UNK-10dfa458-18
0.278
JOH-UNI-27ac80fd-34
0.276
AHN-SAT-02ef6d10-4
0.275
MAK-UNK-10dfa458-14
0.275
CLI-TLC-8ef8ff7b-1
0.275
AHN-SAT-02ef6d10-6
0.274
SAD-SAT-b55127ae-7
0.274
SAD-SAT-2ceae68f-7
0.273
SAD-SAT-f0a2747f-9
0.273
NIR-THE-b7e8e081-1
0.272
SAD-SAT-b55127ae-5
0.270
ERI-UCB-a0b0dbcb-2
0.270
JAN-GHE-6413aaf8-7
0.269
ERI-UCB-a0b0dbcb-14
0.269
UNK-UNK-2ede4078-93
0.268
BEN-DND-7e92b6ca-14
0.267
JAR-KUA-672ec752-3
0.267
MED-COV-4280ac29-5
0.267
KRI-MAR-d2e3ef86-13
0.267
BEN-DND-7e92b6ca-15
0.267
BEN-DND-7e92b6ca-11
0.267
UNK-UNK-2ede4078-99
0.264
MAT-POS-2db6411e-1
0.264
SAD-SAT-3a925b8b-10
0.264
ERI-UCB-d6de1f3c-6
0.262
MAR-UCB-f313ec4d-5
0.261
BEN-DND-7e92b6ca-12
0.261