Molecular Properties | |
SMILES: | CC(=O)N1CCC(Cc2ccccc2)CC1 |
MW: | 217.312 |
Fraction sp3: | 0.5 |
HBA: | 1 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 20.31 |
cLogP: | 2.4876 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Source | |
Enamine Extended REAL: | s_22____57765____58844 |
Mcule: | MCULE-5917728605 |
Mcule Ultimate: | BKQOKWBHIBQLIH-UHFFFAOYSA-N |
MolPort: | MolPort-001-016-727 |
AAR-POS-fca48359-5
0.750
DRA-CSI-47e38074-3
0.717
DRA-CSI-47e38074-12
0.717
DRA-CSI-47e38074-5
0.698
DRA-CSI-47e38074-10
0.623
DRA-CSI-47e38074-16
0.620
DRA-CSI-47e38074-4
0.615
DRA-CSI-47e38074-13
0.600
DRA-CSI-47e38074-14
0.582
DRA-CSI-47e38074-11
0.561
DRA-CSI-47e38074-6
0.550
DRA-CSI-47e38074-15
0.541
MAK-UNK-212f693e-16
0.531
DRA-CSI-47e38074-7
0.516
DRA-CSI-47e38074-8
0.500
AAR-POS-fca48359-4
0.493
DRA-CSI-47e38074-9
0.492
RED-RED-10c9212c-26
0.471
LON-WEI-4d77710c-54
0.446
MAT-POS-b5746674-107
0.446
LON-WEI-5e7d1b3e-54
0.446
MAK-UNK-10dfa458-10
0.424
MAK-UNK-af83ef51-6
0.417
MAK-UNK-212f693e-35
0.404
WIL-LEE-23e8b574-1
0.400
MAK-UNK-212f693e-34
0.379
MAK-UNK-212f693e-32
0.373
MAT-POS-b5746674-16
0.372
JON-UNI-bb9dc649-9
0.371
MAR-TRE-f6f5f473-48
0.371
MAK-UNK-10dfa458-40
0.369
GIA-UNK-5ec6c2b8-5
0.368
DUN-NEW-f8ce3686-25
0.362
NIR-THE-0d6461ce-8
0.349
GIA-UNK-595fac82-5
0.344
GIA-UNK-5ec6c2b8-3
0.339
JON-UIO-066ce08b-5
0.339
WIL-LEE-23e8b574-5
0.339
MAK-UNK-af83ef51-2
0.333
MAK-UNK-10dfa458-9
0.333
MAK-UNK-212f693e-14
0.333
NAU-LAT-3f5f3993-3
0.329
GIA-UNK-995df016-6
0.327
GIA-UNK-595fac82-2
0.323
DRR-IMP-38dce17f-3
0.321
MAK-UNK-7c9d1431-24
0.321
MAR-TRE-6a44bbf2-9
0.318
LON-WEI-120e5cf5-5
0.317
MAK-UNK-b1d4dcd7-6
0.316
SAD-SAT-1f400d17-1
0.316
MAK-UNK-af83ef51-5
0.314
ANT-DIA-b7f58f21-4
0.314
MAK-UNK-212f693e-17
0.310
BEN-DND-362d364a-5
0.310
JAN-GHE-1d98ec1c-8
0.309
NAU-LAT-3f5f3993-1
0.307
AAR-POS-0daf6b7e-26
0.305
MAK-UNK-212f693e-2
0.305
MAK-UNK-6435e6c2-9
0.305
SAD-SAT-c989feaa-4
0.304
MAK-UNK-10dfa458-39
0.303
PAT-UNK-b2d83456-1
0.302
MAK-UNK-15efde89-1
0.302
GIA-UNK-995df016-10
0.302
MAT-POS-ea426761-46
0.301
JON-UIO-066ce08b-3
0.300
RED-RED-10c9212c-19
0.300
BEN-DND-362d364a-1
0.300
GIA-UNK-5ec6c2b8-1
0.298
MAR-TRE-0fda4e82-52
0.297
GIA-UNK-595fac82-4
0.297
MAK-UNK-6ca90168-11
0.295
JON-UNI-bb9dc649-14
0.294
JON-UNI-bb9dc649-20
0.294
NIR-THE-0d6461ce-4
0.293
MAK-UNK-f983951f-22
0.293
PAT-UNK-b2d83456-2
0.292
ANT-OPE-7824651a-2
0.292
MAT-POS-ea426761-89
0.291
AHN-SAT-de2502ba-1
0.290
MAK-UNK-6435e6c2-1
0.288
DAN-LON-a5fc619e-10
0.288
MAK-UNK-7c9d1431-23
0.286
MAT-POS-ea426761-98
0.286
MAR-TRE-6c5ef77a-34
0.286
AAR-POS-0daf6b7e-5
0.286
AAR-POS-d2a4d1df-24
0.286
JAG-SYN-9c2cd0bd-9
0.286
MAR-TRE-6a44bbf2-28
0.286
NIM-UNI-36e12f95-2
0.284
HEI-REL-0c990a45-3
0.284
JON-UNI-bb9dc649-6
0.284
PAT-UNK-b2d83456-3
0.284
MAK-UNK-b1d4dcd7-9
0.282
LON-WEI-120e5cf5-15
0.281
MAR-TRE-6a44bbf2-86
0.281
SAD-SAT-2fd372d1-2
0.281
WIL-LEE-23e8b574-3
0.279
JON-UNI-bb9dc649-8
0.279
JAN-GHE-1d98ec1c-2
0.279