Molecular Properties | |
SMILES: | O=C(c1cc[nH]c1)N1CCC(Cc2ccccc2)CC1 |
MW: | 268.36 |
Fraction sp3: | 0.35 |
HBA: | 1 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 36.1 |
cLogP: | 3.1096 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Source | |
Enamine REAL: | Z1167399469 |
Enamine Extended REAL: | s_22____57765____4555302 |
Mcule: | MCULE-6264337628 |
Mcule Ultimate: | PTJXJWCMAIAJMJ-UHFFFAOYSA-N |
DRA-CSI-47e38074-2
0.623
DRA-CSI-47e38074-14
0.578
DRA-CSI-47e38074-13
0.569
DRA-CSI-47e38074-5
0.554
AAR-POS-fca48359-5
0.531
DRA-CSI-47e38074-12
0.525
DRA-CSI-47e38074-3
0.525
DRA-CSI-47e38074-11
0.515
DRA-CSI-47e38074-4
0.508
AAR-POS-fca48359-4
0.500
DRA-CSI-47e38074-6
0.466
DRA-CSI-47e38074-16
0.462
RED-RED-10c9212c-26
0.425
DRA-CSI-47e38074-15
0.421
DRA-CSI-47e38074-7
0.421
DRA-CSI-47e38074-9
0.405
DRA-CSI-47e38074-8
0.390
LON-WEI-4d77710c-54
0.360
LON-WEI-5e7d1b3e-54
0.360
MAT-POS-b5746674-107
0.360
MAK-UNK-af83ef51-6
0.356
MAK-UNK-212f693e-16
0.348
MAT-POS-b5746674-16
0.347
MAK-UNK-10dfa458-10
0.342
GIA-UNK-995df016-10
0.333
GIA-UNK-595fac82-2
0.333
GIA-UNK-5ec6c2b8-1
0.333
MAK-UNK-10dfa458-40
0.321
MAK-UNK-212f693e-32
0.319
DUN-NEW-f8ce3686-25
0.317
MAR-TRE-f6f5f473-48
0.308
MAK-UNK-212f693e-34
0.306
MAK-UNK-212f693e-35
0.306
MAK-UNK-15efde89-1
0.297
GIA-UNK-5ec6c2b8-5
0.296
MAR-TRE-6a44bbf2-9
0.295
MAK-UNK-987948f6-2
0.294
MAR-TRE-0fda4e82-52
0.293
MAK-UNK-af83ef51-2
0.289
AHN-SAT-de2502ba-1
0.287
SIM-SYN-7db9eb24-1
0.287
NIR-THE-0d6461ce-8
0.286
MAR-TRE-fd17a9b8-6
0.284
AAR-POS-0daf6b7e-5
0.284
RED-RED-10c9212c-19
0.283
MAT-POS-ea426761-46
0.282
MAK-UNK-10dfa458-39
0.282
WIL-LEE-23e8b574-1
0.282
CLI-UNI-032f7715-3
0.282
GIA-UNK-995df016-16
0.276
ZAC-WAB-0847d168-1
0.276
GIA-UNK-eaadd1d4-1
0.276
LON-WEI-120e5cf5-5
0.276
NIR-THE-0d6461ce-4
0.276
MAK-UNK-7c9d1431-24
0.275
DRR-IMP-38dce17f-3
0.275
MAK-UNK-10dfa458-9
0.273
LON-WEI-b2874fec-1
0.272
GIA-UNK-5ec6c2b8-3
0.271
STE-KUL-2e0d2e88-1
0.269
MAK-UNK-b1d4dcd7-6
0.269
SAD-SAT-89668ff1-2
0.267
JAG-SYN-9c2cd0bd-9
0.267
BEN-DND-362d364a-5
0.265
GIA-UNK-595fac82-5
0.263
MAR-TRE-6a44bbf2-86
0.263
LON-WEI-120e5cf5-15
0.263
GIA-UNK-995df016-15
0.263
MAK-UNK-af83ef51-5
0.262
SAD-SAT-29425be4-29
0.261
AAR-POS-0daf6b7e-32
0.260
WIL-LEE-23e8b574-5
0.260
GIA-UNK-595fac82-3
0.260
MAK-UNK-af83ef51-8
0.259
PAU-WEI-c6d65c11-1
0.258
DRA-CSI-7ec17797-3
0.258
MAK-UNK-6ca90168-11
0.257
GIA-UNK-995df016-11
0.256
GIA-UNK-995df016-17
0.256
JAN-GHE-1d98ec1c-8
0.256
TIM-UNK-6bd61028-1
0.256
DAN-LON-a5fc619e-10
0.256
MAK-UNK-b1d4dcd7-5
0.255
NIC-BIO-f814dd3d-1
0.255
MAK-UNK-b1d4dcd7-9
0.255
SAD-SAT-1f400d17-1
0.254
JON-UNI-bb9dc649-9
0.253
SAD-SAT-c989feaa-4
0.253
MAK-UNK-af83ef51-9
0.253
MAR-TRE-87acfbcc-18
0.253
BRU-UNI-248b30bc-54
0.253
GIA-UNK-995df016-14
0.250
MAK-UNK-194150d3-11
0.250
MAK-UNK-7c9d1431-23
0.250
JOH-IMS-7e73aedd-4
0.250
AAR-POS-fca48359-3
0.250
AAR-POS-d2a4d1df-24
0.250
MAR-TRE-6a44bbf2-28
0.250
MAR-SOS-82e3a7c7-10
0.250
DAV-UNI-bdcebb58-1
0.250