Molecular Properties | |
SMILES: | CSc1cc(OC2CCCCCC2)c2c(c1)c(CN(C)C)cn2Cc1ccccc1 |
MW: | 422.638 |
Fraction sp3: | 0.46 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 7 |
TPSA: | 17.4 |
cLogP: | 6.57470000000001 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-2
DAR-DIA-eace69ff-9
0.741
DAR-DIA-eace69ff-14
0.720
DAR-DIA-eace69ff-7
0.571
DAR-DIA-eace69ff-12
0.442
DAR-DIA-eace69ff-13
0.442
DAR-DIA-eace69ff-11
0.422
DAR-DIA-eace69ff-4
0.420
DAR-DIA-eace69ff-16
0.404
DAR-DIA-eace69ff-1
0.369
DAR-DIA-eace69ff-15
0.355
DAR-DIA-eace69ff-3
0.330
DAR-DIA-eace69ff-2
0.324
DAR-DIA-eace69ff-18
0.309
DAR-DIA-eace69ff-19
0.306
DAR-DIA-eace69ff-27
0.296
DAR-DIA-eace69ff-6
0.295
DAR-DIA-eace69ff-10
0.294
DAR-DIA-eace69ff-17
0.276
DAR-DIA-eace69ff-5
0.250
MAR-TRE-92684b97-70
0.248
GIA-UNK-595fac82-5
0.245
MED-COV-4280ac29-17
0.243
UNK-CYC-68f84b31-55
0.238
MAK-UNK-ec98eaf6-5
0.238
DAR-DIA-eace69ff-20
0.233
JOH-IMS-7e73aedd-4
0.232
MAK-UNK-6435e6c2-9
0.231
MAK-UNK-1bb0b7ee-8
0.231
AAR-POS-0daf6b7e-26
0.231
MAK-UNK-0955449e-13
0.228
MAK-UNK-1bb0b7ee-11
0.223
MAR-TRE-87acfbcc-96
0.222
MAK-UNK-1bb0b7ee-15
0.220
MAT-POS-b5746674-110
0.217
MAR-TRE-66ac689e-34
0.217
BAR-COM-4e090d3a-26
0.214
IFT-SAT-023cfffe-5
0.213
DRA-CSI-47e38074-1
0.212
MAR-TRE-66ac689e-43
0.210
BAR-COM-4e090d3a-65
0.209
GIA-UNK-5ec6c2b8-3
0.209
MAK-UNK-3c359d2a-1
0.209
MAK-UNK-176ca439-4
0.209
MAK-UNK-a7992eb3-20
0.209
ALP-POS-8ed8d9ec-13
0.208
ALP-POS-a3de0cb1-9
0.208
MAK-UNK-a7992eb3-5
0.208
MAT-POS-ea426761-98
0.207
MAT-POS-b5746674-105
0.207
DRA-CSI-47e38074-15
0.206
MAR-TRE-66ac689e-7
0.206
JAR-KUA-8c13982c-13
0.204
LON-WEI-5e7d1b3e-54
0.203
MAT-POS-b5746674-107
0.203
LON-WEI-4d77710c-54
0.203
DAR-DIA-0d514e7d-4
0.203
DRA-CSI-47e38074-2
0.202
MAR-TRE-8190bb11-21
0.202
MAK-UNK-10dfa458-45
0.202
IFT-SAT-023cfffe-1
0.202
MAK-UNK-a7992eb3-19
0.202
MAR-TRE-66ac689e-83
0.200
MAK-UNK-987948f6-1
0.200
MAK-UNK-10dfa458-14
0.200
AAR-POS-0daf6b7e-30
0.200
PAU-UNI-6d15a9f5-1
0.200
MAK-UNK-a7992eb3-13
0.200
DRA-CSI-47e38074-3
0.200
MAK-UNK-b1d4dcd7-10
0.198
MAR-TRE-799db12b-67
0.198
MAK-UNK-1bb0b7ee-4
0.198
MAR-TRE-1c920f6f-96
0.198
MAK-UNK-7c9d1431-24
0.198
DRR-IMP-38dce17f-3
0.198
MAK-UNK-a7992eb3-2
0.197
MAR-TRE-f6f5f473-89
0.197
BEN-VAN-d8fd1356-27
0.196
MAK-UNK-a7992eb3-23
0.196
DAR-DIA-eace69ff-24
0.196
MAK-UNK-a7992eb3-22
0.196
DAR-DIA-eace69ff-32
0.196
DRA-CSI-47e38074-16
0.196
SAD-SAT-1f400d17-1
0.196
TIM-UNK-bbdeee69-1
0.194
FRA-BIO-8bf1eac9-8
0.194
UNK-CYC-68f84b31-6
0.194
MAT-POS-b5746674-101
0.193
LON-WEI-5e7d1b3e-34
0.193
LON-WEI-4d77710c-34
0.193
MAK-UNK-b2c98f02-7
0.193
ROD-UFR-74bef589-1
0.193
ANT-OPE-c0c3e7cc-1
0.192
COM-UCB-8c7d23dc-6
0.191
DAR-DIA-eace69ff-29
0.190
ASH-UNK-40b46b30-4
0.190
LAU-FAC-8471e121-1
0.190
DRA-CSI-47e38074-4
0.190
WIL-UNI-d4749f31-8
0.190
BEN-DND-7e92b6ca-10
0.189
KRI-MAR-d2e3ef86-5
0.189