Molecular Properties | |
SMILES: | CCc1cc(OC2CCCCCC2)c2c(c1)c(CN(C)C)cn2Cc1ccccc1 |
MW: | 404.598 |
Fraction sp3: | 0.48 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 7 |
TPSA: | 17.4 |
cLogP: | 6.41520000000001 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-2
DAR-DIA-eace69ff-14
0.972
DAR-DIA-eace69ff-7
0.775
DAR-DIA-eace69ff-8
0.741
DAR-DIA-eace69ff-13
0.619
DAR-DIA-eace69ff-4
0.584
DAR-DIA-eace69ff-11
0.548
DAR-DIA-eace69ff-16
0.541
DAR-DIA-eace69ff-12
0.528
DAR-DIA-eace69ff-1
0.489
DAR-DIA-eace69ff-15
0.469
DAR-DIA-eace69ff-2
0.431
DAR-DIA-eace69ff-18
0.416
DAR-DIA-eace69ff-19
0.411
DAR-DIA-eace69ff-27
0.400
DAR-DIA-eace69ff-3
0.398
DAR-DIA-eace69ff-10
0.373
DAR-DIA-eace69ff-6
0.358
DAR-DIA-eace69ff-17
0.343
DAR-DIA-eace69ff-5
0.311
DAR-DIA-eace69ff-20
0.286
DAR-DIA-eace69ff-24
0.257
MAR-TRE-92684b97-70
0.250
DAR-DIA-eace69ff-29
0.240
DAR-DIA-eace69ff-28
0.240
MED-COV-4280ac29-17
0.235
GIA-UNK-595fac82-5
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
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
BAR-COM-4e090d3a-65
0.222
JOH-IMS-7e73aedd-4
0.220
MAR-TRE-f6f5f473-89
0.219
DRA-CSI-47e38074-2
0.218
DRA-CSI-47e38074-16
0.211
DAR-DIA-eace69ff-34
0.211
ALP-POS-a3de0cb1-9
0.210
MAK-UNK-b1d4dcd7-10
0.210
ALP-POS-8ed8d9ec-13
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
DRA-CSI-47e38074-15
0.208
MAK-UNK-0955449e-13
0.206
BAR-COM-4e090d3a-26
0.205
LON-WEI-4d77710c-54
0.205
MAT-POS-b5746674-101
0.205
LON-WEI-4d77710c-34
0.205
LON-WEI-5e7d1b3e-54
0.205
LON-WEI-5e7d1b3e-34
0.205
MAT-POS-b5746674-107
0.205
MAR-TRE-8190bb11-21
0.204
IFT-SAT-023cfffe-1
0.203
DRA-CSI-47e38074-5
0.202
DRA-CSI-47e38074-3
0.202
DRA-CSI-47e38074-12
0.202
STE-KUL-2e0d2e88-7
0.202
PAU-UNI-6d15a9f5-1
0.202
MAK-UNK-a7992eb3-13
0.202
MAK-UNK-987948f6-1
0.202
MAK-UNK-b1d4dcd7-9
0.202
MAR-TRE-1c920f6f-96
0.200
MAR-TRE-799db12b-67
0.200
MAK-UNK-176ca439-4
0.200
MAK-UNK-3c359d2a-1
0.200
DRA-CSI-47e38074-1
0.200
MAK-UNK-a7992eb3-20
0.200
BEN-VAN-d8fd1356-28
0.198
FRA-BIO-8bf1eac9-2
0.198
GIA-UNK-5ec6c2b8-3
0.198
UNK-CYC-68f84b31-21
0.197
BAR-COM-4e090d3a-34
0.196
MAR-TRE-66ac689e-34
0.196
TIM-UNK-bbdeee69-1
0.196
DAR-DIA-0d514e7d-4
0.195
UNK-CYC-68f84b31-6
0.195
IFT-SAT-023cfffe-5
0.195
MAR-TRE-f6f5f473-82
0.195
MAT-POS-b5746674-131
0.195
MAK-UNK-e4a48a85-4
0.195
MAT-POS-b5746674-116
0.195
JUL-TUD-06b2044f-114
0.194
BEN-VAN-d8fd1356-25
0.194
DAV-UNI-bdcebb58-3
0.194
JUA-UNI-b93289a4-6
0.194
UNK-UNK-2ede4078-65
0.194
MAK-UNK-a7992eb3-19
0.194
MAR-TRE-4b834d9a-28
0.194
MAK-UNK-10dfa458-45
0.193
MAT-POS-b5746674-130
0.193