Molecular Properties | |
SMILES: | C=CC(=O)N1CCC(C(=O)N2Cc3ccccc3C(c3ccccc3)C2)CC1 |
MW: | 374.2 |
Fraction sp3: | 0.33 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 40.62 |
cLogP: | 3.59 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Source | |
Enamine BB: | EN300-26603372 |
Enamine SCR: | Z3672065131 |
Enamine REAL: | Z3672065131 |
Mcule: | MCULE-1625556284 |
MolPort: | MolPort-046-910-695 |
AAR-POS-d2a4d1df-41
AAR-POS-0daf6b7e-14
0.507
REN-UFA-aaaed2d6-1
0.494
REN-UFA-aaaed2d6-3
0.494
REN-UFA-aaaed2d6-2
0.482
RAI-NOV-a7d52b4a-2
0.471
JAR-IMP-ed466bb3-7
0.465
JAR-IMP-ed466bb3-8
0.463
RAI-NOV-a7d52b4a-4
0.457
RAI-NOV-a7d52b4a-5
0.451
JAR-IMP-ed466bb3-12
0.449
JAR-IMP-ed466bb3-13
0.447
REN-UFA-aaaed2d6-6
0.443
REN-UFA-aaaed2d6-5
0.443
JAR-IMP-ed466bb3-3
0.443
JAR-IMP-ed466bb3-4
0.441
REN-UFA-aaaed2d6-4
0.440
SAD-SAT-b55127ae-9
0.427
RAI-NOV-2f6a9876-6
0.427
JAR-IMP-ed466bb3-17
0.415
JAR-IMP-ed466bb3-9
0.413
JAG-SYN-9c2cd0bd-3
0.397
SAD-SAT-b55127ae-7
0.391
JAR-IMP-ed466bb3-1
0.382
SAD-SAT-2ceae68f-4
0.380
JAR-IMP-ed466bb3-6
0.371
JAR-IMP-ed466bb3-2
0.370
MIH-UNI-e573136b-10
0.368
NIR-THE-c331be7a-1
0.364
SAD-SAT-b55127ae-3
0.352
DAR-DIA-caba39e3-1
0.348
NIR-THE-c331be7a-6
0.348
DAR-DIA-caba39e3-2
0.348
WAR-XCH-b72a1bbc-22
0.347
THO-SYG-4e0386bb-1
0.344
WAR-XCH-b72a1bbc-13
0.344
RAI-NOV-a7d52b4a-3
0.344
RAI-NOV-a7d52b4a-1
0.343
NIR-THE-c331be7a-2
0.341
RAV-REL-e0cd5b56-1
0.337
MAK-UNK-702fb7d3-2
0.331
MAK-UNK-702fb7d3-18
0.331
JAR-IMP-ed466bb3-16
0.330
JAR-IMP-ed466bb3-14
0.323
MAK-UNK-702fb7d3-1
0.320
DAV-CRI-3fe943ba-1
0.317
DAV-SYG-f22c749d-5
0.315
JAR-IMP-ed466bb3-5
0.315
MAK-UNK-702fb7d3-17
0.315
MAK-UNK-702fb7d3-20
0.315
MAK-UNK-702fb7d3-21
0.315
SAL-INS-1c7a5a55-1
0.313
TAM-UNI-d1c3dd9f-7
0.311
DAV-SYG-f22c749d-4
0.310
MAK-UNK-702fb7d3-3
0.310
MIH-UNI-e573136b-15
0.309
MAK-UNK-10dfa458-10
0.306
MAK-UNK-10dfa458-9
0.306
MIH-UNI-e573136b-9
0.304
NIR-THE-c331be7a-4
0.304
MAK-UNK-702fb7d3-19
0.304
MIH-UNI-e573136b-12
0.304
TAM-UNI-d1c3dd9f-3
0.304
NIR-THE-c331be7a-5
0.304
DAV-CRI-3fe943ba-2
0.301
PEI-IMP-3d837503-2
0.300
TAM-UNI-d1c3dd9f-8
0.298
STU-CHA-83dacf15-2
0.293
SAD-SAT-1f400d17-1
0.291
MAK-UNK-6ca90168-12
0.287
NAU-LAT-f723e322-4
0.287
DOU-UNK-b5326f8f-14
0.287
SAL-INS-1c7a5a55-2
0.287
SAD-SAT-1f400d17-4
0.286
SAL-INS-1c7a5a55-5
0.284
TAM-UNI-d1c3dd9f-11
0.283
IND-SYN-6c8299e8-3
0.280
DAR-DIA-caba39e3-7
0.280
DAR-DIA-caba39e3-8
0.280
JAN-LUN-04aedcc0-6
0.279
MAK-UNK-212f693e-24
0.277
TAM-UNI-d1c3dd9f-10
0.276
AAR-POS-fca48359-5
0.276
AHN-SAT-02ef6d10-4
0.275
DAR-DIA-caba39e3-6
0.274
WAR-XCH-72a8c209-10
0.273
DAV-IMP-59dd6621-23
0.271
RAV-REL-e0cd5b56-2
0.270
SAD-SAT-f2e2579e-6
0.270
DAR-DIA-caba39e3-13
0.270
SEA-TRI-078a8df3-1
0.270
DAR-DIA-caba39e3-9
0.269
SAD-SAT-b55127ae-6
0.267
DAR-DIA-caba39e3-12
0.267
NIR-THE-c331be7a-3
0.267
DAR-DIA-caba39e3-4
0.267
MAK-UNK-10dfa458-8
0.267
JOH-MSK-2d8052dc-1
0.265
AHN-SAT-02ef6d10-3
0.265
GIA-UNK-eaadd1d4-1
0.264
ANT-OPE-c0c3e7cc-1
0.264