Molecular Properties | |
SMILES: | CCc1cc(OC2CCCCC2)c2c(c1)c(CN(C)C)cn2Cc1ccccc1 |
MW: | 390.571 |
Fraction sp3: | 0.46 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 7 |
TPSA: | 17.4 |
cLogP: | 6.02510000000001 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-2
DAR-DIA-eace69ff-9
0.972
DAR-DIA-eace69ff-7
0.775
DAR-DIA-eace69ff-8
0.720
DAR-DIA-eace69ff-13
0.639
DAR-DIA-eace69ff-4
0.602
DAR-DIA-eace69ff-11
0.565
DAR-DIA-eace69ff-16
0.560
DAR-DIA-eace69ff-12
0.528
DAR-DIA-eace69ff-1
0.505
DAR-DIA-eace69ff-15
0.485
DAR-DIA-eace69ff-2
0.431
DAR-DIA-eace69ff-19
0.427
DAR-DIA-eace69ff-27
0.416
DAR-DIA-eace69ff-3
0.412
DAR-DIA-eace69ff-18
0.400
DAR-DIA-eace69ff-6
0.371
DAR-DIA-eace69ff-10
0.359
DAR-DIA-eace69ff-17
0.357
DAR-DIA-eace69ff-5
0.324
DAR-DIA-eace69ff-20
0.286
DAR-DIA-eace69ff-24
0.270
DAR-DIA-eace69ff-29
0.253
MAR-TRE-92684b97-70
0.250
DAR-DIA-eace69ff-28
0.240
MED-COV-4280ac29-17
0.235
GIA-UNK-595fac82-5
0.234
BAR-COM-4e090d3a-65
0.234
AAR-POS-0daf6b7e-26
0.233
MAK-UNK-6435e6c2-9
0.233
MAK-UNK-1bb0b7ee-8
0.233
UNK-CYC-68f84b31-55
0.231
MAR-TRE-f6f5f473-89
0.230
MAK-UNK-ec98eaf6-5
0.230
JAR-KUA-8c13982c-13
0.229
DAR-DIA-eace69ff-25
0.228
MAK-UNK-1bb0b7ee-11
0.225
MAR-TRE-87acfbcc-96
0.224
MAK-UNK-1bb0b7ee-15
0.222
DAR-DIA-eace69ff-26
0.222
JOH-IMS-7e73aedd-4
0.220
DRA-CSI-47e38074-2
0.218
BAR-COM-4e090d3a-26
0.216
MAK-UNK-987948f6-1
0.212
MAK-UNK-b1d4dcd7-9
0.212
DAR-DIA-eace69ff-34
0.211
DRA-CSI-47e38074-16
0.211
MAK-UNK-b1d4dcd7-10
0.210
MAK-UNK-a7992eb3-5
0.210
BEN-VAN-d8fd1356-27
0.209
JUA-UNI-b93289a4-4
0.209
MAT-POS-ea426761-98
0.209
MAT-POS-b5746674-110
0.209
MAT-POS-b5746674-105
0.208
TIM-UNK-bbdeee69-1
0.208
DRA-CSI-47e38074-15
0.208
MAK-UNK-0955449e-13
0.206
MAR-TRE-f6f5f473-82
0.205
LON-WEI-5e7d1b3e-54
0.205
MAT-POS-b5746674-107
0.205
LON-WEI-4d77710c-54
0.205
IFT-SAT-023cfffe-1
0.203
DAV-UNI-bdcebb58-3
0.203
DRA-CSI-47e38074-5
0.202
DRA-CSI-47e38074-12
0.202
DRA-CSI-47e38074-3
0.202
STE-KUL-2e0d2e88-7
0.202
DRA-CSI-47e38074-9
0.202
MAK-UNK-a7992eb3-13
0.202
PAU-UNI-6d15a9f5-1
0.202
MAK-UNK-3c359d2a-1
0.200
MAK-UNK-176ca439-4
0.200
JOH-ILL-da934517-2
0.200
MAK-UNK-a7992eb3-20
0.200
DRA-CSI-47e38074-1
0.200
MAR-TRE-799db12b-67
0.200
ALP-POS-8ed8d9ec-13
0.200
MAR-TRE-1c920f6f-96
0.200
ALP-POS-a3de0cb1-9
0.200
MAK-UNK-194150d3-9
0.198
FRA-BIO-8bf1eac9-2
0.198
BEN-VAN-d8fd1356-28
0.198
GIA-UNK-20b63697-6
0.198
GIA-UNK-5ec6c2b8-3
0.198
LON-WEI-b8d98729-5
0.197
DAV-UNI-bdcebb58-2
0.197
UNK-CYC-68f84b31-21
0.197
BAR-COM-4e090d3a-34
0.196
MAR-TRE-66ac689e-34
0.196
DAR-DIA-0d514e7d-4
0.195
UNK-CYC-68f84b31-6
0.195
IFT-SAT-023cfffe-5
0.195
MAT-POS-b5746674-101
0.195
LON-WEI-5e7d1b3e-34
0.195
LON-WEI-4d77710c-34
0.195
MAT-POS-b5746674-131
0.195
MAK-UNK-e4a48a85-4
0.195
MAR-TRE-3159af1a-49
0.195
MAT-POS-b5746674-116
0.195
BEN-VAN-d8fd1356-25
0.194
JUL-TUD-06b2044f-114
0.194