Molecular Properties | |
SMILES: | CCc1cc(N2CCCCCC2)c2c(c1)c(CN(C)C)cn2Cc1ccccc1 |
MW: | 389.587 |
Fraction sp3: | 0.46 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 6 |
TPSA: | 11.41 |
cLogP: | 5.69400000000001 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-2
DAR-DIA-eace69ff-9
0.528
DAR-DIA-eace69ff-14
0.528
DAR-DIA-eace69ff-7
0.500
DAR-DIA-eace69ff-8
0.442
DAR-DIA-eace69ff-25
0.395
DAR-DIA-eace69ff-28
0.395
DAR-DIA-eace69ff-10
0.347
DAR-DIA-eace69ff-11
0.346
DAR-DIA-eace69ff-26
0.345
DAR-DIA-eace69ff-6
0.333
DAR-DIA-eace69ff-23
0.330
DAR-DIA-eace69ff-2
0.327
DAR-DIA-eace69ff-13
0.320
DAR-DIA-eace69ff-22
0.319
DAR-DIA-eace69ff-4
0.317
DAR-DIA-eace69ff-5
0.298
DAR-DIA-eace69ff-20
0.298
DAR-DIA-eace69ff-16
0.296
DAR-DIA-eace69ff-1
0.295
DAR-DIA-eace69ff-31
0.293
DAR-DIA-eace69ff-17
0.290
DAR-DIA-eace69ff-15
0.284
JOH-IMS-7e73aedd-4
0.280
DAR-DIA-eace69ff-30
0.280
DAR-DIA-eace69ff-21
0.274
GIA-UNK-5ec6c2b8-3
0.250
DAR-DIA-eace69ff-3
0.250
MAK-UNK-6435e6c2-9
0.244
AAR-POS-0daf6b7e-26
0.244
DAR-DIA-eace69ff-19
0.242
NAU-LAT-445f63e5-5
0.240
MAT-POS-b5746674-8
0.234
GIA-UNK-595fac82-5
0.231
MAK-UNK-0955449e-13
0.227
DRA-CSI-47e38074-5
0.226
DRA-CSI-47e38074-12
0.225
DAR-DIA-eace69ff-29
0.224
STE-KUL-2e0d2e88-7
0.222
MAK-UNK-1bb0b7ee-11
0.222
DAR-DIA-eace69ff-18
0.220
DAR-DIA-eace69ff-27
0.220
DAR-DIA-eace69ff-34
0.220
DRA-CSI-47e38074-16
0.220
MAK-UNK-1bb0b7ee-15
0.220
MAK-UNK-987948f6-1
0.219
PAU-WEI-c6d65c11-1
0.219
DAR-DIA-eace69ff-24
0.218
MAK-UNK-1bb0b7ee-8
0.218
ALP-POS-a3de0cb1-9
0.217
ALP-POS-8ed8d9ec-13
0.217
NAU-LAT-ec9c7557-7
0.216
MAT-POS-b5746674-105
0.216
MAR-TRE-92684b97-70
0.216
LOR-NEU-c8f11034-9
0.215
DRA-CSI-47e38074-2
0.214
JAR-KUA-8c13982c-13
0.214
GIA-UNK-5ec6c2b8-5
0.213
DRA-CSI-47e38074-4
0.213
IFT-SAT-023cfffe-5
0.212
AAR-POS-0daf6b7e-30
0.211
MAT-POS-b5746674-130
0.211
DRA-CSI-47e38074-1
0.210
UNK-UNK-2ede4078-65
0.210
MAK-UNK-a7992eb3-13
0.209
ALP-POS-7c842ab8-2
0.208
PAT-UNK-b2d83456-3
0.208
MAK-UNK-a7992eb3-20
0.207
MAR-TRE-799db12b-67
0.207
FRA-BIO-8bf1eac9-4
0.207
JUA-UNI-b93289a4-4
0.206
MAT-POS-b5746674-110
0.205
NAU-LAT-e1818702-9
0.204
MAK-UNK-ec98eaf6-48
0.204
IFT-SAT-023cfffe-2
0.203
JUA-UNI-b93289a4-6
0.202
SIM-SYN-7db9eb24-2
0.202
AAR-POS-fca48359-3
0.202
MAT-POS-b5746674-116
0.202
DAV-UNI-bdcebb58-1
0.202
SAD-SAT-29425be4-8
0.202
LON-WEI-5e7d1b3e-54
0.202
MAT-POS-b5746674-107
0.202
LON-WEI-4d77710c-54
0.202
IFT-SAT-023cfffe-1
0.200
MAR-TRE-8190bb11-21
0.200
MAT-POS-b5746674-6
0.200
UNK-CYC-68f84b31-55
0.200
MAK-UNK-a7992eb3-19
0.200
MED-COV-4280ac29-17
0.200
AAR-POS-fca48359-5
0.200
MAK-UNK-af83ef51-2
0.200
UNK-UNK-2ede4078-21
0.198
MAK-UNK-ec98eaf6-58
0.198
WIL-UNI-d4749f31-8
0.198
SAD-SAT-7d5528d9-18
0.198
GIA-UNK-d2defdc3-9
0.198
JOK-SYG-18591e8f-1
0.198
JOO-PER-74f994a9-1
0.198
DRA-CSI-47e38074-3
0.198
ALP-POS-a3de0cb1-16
0.197