Molecular Properties | |
SMILES: | O=C(Nc1ccccc1C(F)(F)F)N1CCC(Cc2ccccc2)CC1 |
MW: | 362.395 |
Fraction sp3: | 0.35 |
HBA: | 1 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 32.34 |
cLogP: | 5.192 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Source | |
Enamine Extended REAL: | s_2430____737136____740864 |
DRA-CSI-47e38074-15
0.611
DRA-CSI-47e38074-2
0.516
DRA-CSI-47e38074-6
0.513
DRA-CSI-47e38074-3
0.507
DRA-CSI-47e38074-9
0.506
DRA-CSI-47e38074-14
0.493
DRA-CSI-47e38074-12
0.485
LON-WEI-4d77710c-54
0.483
MAT-POS-b5746674-107
0.483
LON-WEI-5e7d1b3e-54
0.483
DRA-CSI-47e38074-16
0.471
DRA-CSI-47e38074-5
0.462
DRA-CSI-47e38074-4
0.432
AAR-POS-fca48359-5
0.432
DRA-CSI-47e38074-10
0.421
DRA-CSI-47e38074-13
0.410
DRA-CSI-47e38074-11
0.405
DRA-CSI-47e38074-8
0.402
RED-RED-10c9212c-26
0.356
AAR-POS-fca48359-4
0.356
TAT-ENA-80bfd3e5-28
0.319
MAK-UNK-212f693e-16
0.311
MAK-UNK-10dfa458-10
0.309
MAK-UNK-af83ef51-6
0.305
AAR-POS-0daf6b7e-32
0.299
MAR-TRE-f6f5f473-48
0.297
MAT-POS-b5746674-16
0.296
MAK-UNK-212f693e-35
0.291
MAK-UNK-212f693e-34
0.291
SWA-SYN-6423ea73-1
0.287
MAK-UNK-212f693e-32
0.287
SWA-SYN-d2e6fa14-1
0.287
SAD-SAT-2fd372d1-2
0.284
RED-RED-10c9212c-5
0.283
MAK-UNK-10dfa458-40
0.276
DUN-NEW-f8ce3686-25
0.275
MAT-POS-b5746674-110
0.270
GIA-UNK-5ec6c2b8-5
0.266
MIC-SGC-657978c3-5
0.264
RIC-ARG-a8e88843-4
0.258
SWA-SYN-6423ea73-3
0.256
SWA-SYN-d2e6fa14-3
0.256
MAK-UNK-194150d3-11
0.255
SAD-SAT-2fd372d1-8
0.253
GIA-UNK-595fac82-5
0.253
MAR-TRE-6a44bbf2-9
0.253
SIM-DEM-1d7050d3-1
0.250
AHN-SAT-de2502ba-7
0.250
MAR-TRE-0fda4e82-52
0.250
MED-COV-4280ac29-17
0.250
NIC-BIO-f814dd3d-1
0.248
NIM-NMI-8bb27a2b-20
0.248
RED-RED-10c9212c-19
0.248
AAR-POS-0daf6b7e-44
0.247
MAK-UNK-af83ef51-9
0.245
MIC-SGC-657978c3-7
0.244
MAR-TRE-6a44bbf2-15
0.244
AAR-POS-0daf6b7e-6
0.244
NIR-THE-0d6461ce-8
0.244
GIA-UNK-5ec6c2b8-3
0.244
BAR-COM-4e090d3a-44
0.242
JAG-SYN-9c2cd0bd-9
0.241
JAG-SYN-9c2cd0bd-4
0.241
LON-WEI-4d77710c-34
0.240
LON-WEI-5e7d1b3e-34
0.240
MAT-POS-b5746674-101
0.240
PAT-GYR-de8eec61-1
0.240
UNK-UNK-2ede4078-76
0.239
MAK-UNK-3d7e3904-3
0.239
LON-WEI-120e5cf5-16
0.239
MAR-TRE-6a44bbf2-86
0.238
LON-WEI-120e5cf5-15
0.238
GIA-UNK-595fac82-2
0.238
MAK-UNK-15efde89-1
0.238
GIA-UNK-995df016-10
0.238
PAU-UNI-6d15a9f5-1
0.238
MAT-POS-b5746674-104
0.238
JAR-IMP-ed466bb3-9
0.238
WIL-LEE-23e8b574-1
0.237
LON-WEI-5e7d1b3e-45
0.237
PAU-WEI-c6d65c11-1
0.237
NAU-LAT-3f5f3993-1
0.237
MAT-POS-b5746674-36
0.237
LON-WEI-4d77710c-45
0.237
GIA-UNK-3f36037a-6
0.235
DAR-DIA-03336633-9
0.235
LON-WEI-120e5cf5-5
0.235
JUA-UNI-b93289a4-4
0.235
AAR-UNI-c25c2f1e-38
0.235
MAT-POS-ea426761-98
0.235
MAK-UNK-009ebe36-8
0.235
MIC-SGC-657978c3-4
0.234
MIC-SGC-657978c3-6
0.233
AHN-SAT-de2502ba-1
0.233
MAK-UNK-b2c98f02-1
0.233
DAR-DIA-03336633-8
0.233
MED-UNK-e6e8ef8a-2
0.233
FRA-FAC-9ed5a63a-2
0.233
MAK-UNK-10dfa458-9
0.233
JAG-SYN-9c2cd0bd-8
0.233