Molecular Properties | |
SMILES: | CC(=O)N1CCC(C(=O)N2CCC(Cc3ccccc3)CC2)CC1 |
MW: | 328.456 |
Fraction sp3: | 0.6 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 40.62 |
cLogP: | 2.7262 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z30161996 |
Enamine Extended REAL: | s_22____57765____60828 |
Mcule: | MCULE-5716006030 |
Mcule Ultimate: | HHJKEJFQKDPRIY-UHFFFAOYSA-N |
MolPort: | MolPort-009-192-640 |
AAR-POS-d2a4d1df-1
DRA-CSI-47e38074-2
0.750
AAR-POS-fca48359-4
0.647
DRA-CSI-47e38074-3
0.569
DRA-CSI-47e38074-12
0.569
DRA-CSI-47e38074-5
0.545
DRA-CSI-47e38074-10
0.531
DRA-CSI-47e38074-16
0.500
DRA-CSI-47e38074-4
0.500
DRA-CSI-47e38074-13
0.493
DRA-CSI-47e38074-11
0.485
DRA-CSI-47e38074-6
0.479
DRA-CSI-47e38074-14
0.478
MAT-POS-b5746674-16
0.477
DRA-CSI-47e38074-15
0.452
DRA-CSI-47e38074-7
0.432
MAK-UNK-212f693e-16
0.426
DRA-CSI-47e38074-8
0.419
DRA-CSI-47e38074-9
0.416
RED-RED-10c9212c-26
0.400
LON-WEI-5e7d1b3e-54
0.384
LON-WEI-4d77710c-54
0.384
MAT-POS-b5746674-107
0.384
MAK-UNK-10dfa458-10
0.352
MAK-UNK-af83ef51-6
0.347
GIA-UNK-5ec6c2b8-5
0.343
GIA-UNK-eaadd1d4-3
0.342
SAD-SAT-b55127ae-7
0.342
MAK-UNK-750cfbcc-3
0.339
MAR-TRE-6a44bbf2-79
0.339
JAR-IMP-ed466bb3-20
0.333
MAK-UNK-212f693e-35
0.333
WIL-LEE-23e8b574-1
0.328
VIR-GIT-7b3d3065-2
0.328
AAR-POS-0daf6b7e-9
0.328
MAK-UNK-750cfbcc-5
0.328
GIA-UNK-995df016-6
0.328
MAR-TRE-f6f5f473-48
0.327
DUN-NEW-f8ce3686-25
0.325
WIL-LEE-23e8b574-5
0.319
BRU-LEF-cf996d6c-1
0.318
GIA-UNK-5ec6c2b8-3
0.318
MAK-UNK-212f693e-34
0.314
SAD-SAT-9a6c5cf3-10
0.313
GIA-UNK-995df016-3
0.312
MAK-UNK-10dfa458-40
0.312
JON-UNI-bb9dc649-9
0.311
MAK-UNK-212f693e-32
0.310
SAD-SAT-f2e2579e-5
0.309
GIA-UNK-595fac82-5
0.306
GIA-UNK-995df016-4
0.303
SAD-SAT-f2e2579e-6
0.302
SAD-SAT-9a6c5cf3-2
0.302
GIA-UNK-eaadd1d4-1
0.301
LON-WEI-120e5cf5-5
0.301
JON-UIO-066ce08b-5
0.300
SAD-SAT-f2e2579e-4
0.299
SAD-SAT-f2e2579e-10
0.298
NAU-LAT-3f5f3993-3
0.298
MAK-UNK-10dfa458-9
0.297
MAK-UNK-af83ef51-2
0.297
JAG-SYN-9c2cd0bd-7
0.297
GIA-UNK-30c7cb75-1
0.296
SAD-SAT-f2e2579e-8
0.295
ANT-DIA-b7f58f21-4
0.295
PAU-WEI-c6d65c11-1
0.294
GIA-UNK-995df016-13
0.294
NIR-THE-0d6461ce-8
0.293
MAR-TRE-6c5ef77a-34
0.292
JAG-SYN-9c2cd0bd-9
0.292
MAK-UNK-10dfa458-39
0.289
SAD-SAT-f2e2579e-3
0.289
MAT-POS-ea426761-46
0.289
RED-RED-10c9212c-19
0.289
LON-WEI-120e5cf5-15
0.288
MAR-TRE-6a44bbf2-86
0.288
GIA-UNK-995df016-10
0.288
GIA-UNK-595fac82-2
0.288
SAD-SAT-2ceae68f-4
0.287
AAR-POS-0daf6b7e-32
0.286
GIA-UNK-995df016-5
0.286
MAR-TRE-6a44bbf2-9
0.286
SAD-SAT-9a6c5cf3-5
0.286
BEN-DND-362d364a-5
0.284
SAD-SAT-9a6c5cf3-7
0.284
MAK-UNK-194150d3-11
0.284
GIA-UNK-5ec6c2b8-1
0.284
JON-UNI-bb9dc649-15
0.282
GIA-UNK-5ec6c2b8-2
0.281
BEN-DND-031a96cc-1
0.281
YOI-UNK-a533afbc-6
0.280
YOI-UNK-12211982-6
0.280
GIA-UNK-995df016-11
0.280
JAG-SYN-9c2cd0bd-8
0.280
SAD-SAT-29425be4-26
0.280
NAU-LAT-3f5f3993-1
0.279
SAD-SAT-9a6c5cf3-3
0.278
SAD-SAT-1f400d17-9
0.276
MAK-UNK-212f693e-14
0.275
MAK-UNK-212f693e-17
0.275
SAD-SAT-c989feaa-4
0.275