Molecular Properties | |
SMILES: | CCc1cc(OC2CCCCC2)c2c(S(=O)(=O)c3ccccc3)cn(CN(C)C)c2c1 |
MW: | 440.609 |
Fraction sp3: | 0.44 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 7 |
TPSA: | 51.54 |
cLogP: | 5.2671 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-2
DAR-DIA-eace69ff-14
0.412
DAR-DIA-eace69ff-11
0.410
DAR-DIA-eace69ff-9
0.398
DAR-DIA-eace69ff-1
0.385
DAR-DIA-eace69ff-16
0.378
DAR-DIA-eace69ff-13
0.359
DAR-DIA-eace69ff-4
0.343
DAR-DIA-eace69ff-19
0.337
DAR-DIA-eace69ff-15
0.333
DAR-DIA-eace69ff-8
0.330
DAR-DIA-eace69ff-27
0.313
DAR-DIA-eace69ff-2
0.304
DAR-DIA-eace69ff-7
0.304
DAR-DIA-eace69ff-18
0.300
DAR-DIA-eace69ff-6
0.287
DAR-DIA-eace69ff-10
0.274
DAR-DIA-eace69ff-5
0.265
DAR-DIA-eace69ff-26
0.263
DAR-DIA-eace69ff-12
0.250
DAR-DIA-eace69ff-17
0.245
BAR-COM-4e090d3a-65
0.236
ANT-OPE-a517596a-1
0.222
GIA-UNK-5ec6c2b8-4
0.217
DAR-DIA-eace69ff-20
0.215
WAR-XCH-b6889685-55
0.210
GIA-UNK-595fac82-4
0.210
BAR-COM-4e090d3a-26
0.209
DAR-DIA-0d514e7d-4
0.208
DRA-CSI-47e38074-12
0.206
MAK-UNK-8fdbca50-39
0.203
DAR-DIA-eace69ff-24
0.202
SAD-SAT-1f400d17-9
0.202
REN-UFA-aaaed2d6-3
0.200
MAK-UNK-8fdbca50-34
0.199
MAR-TRE-04c86cea-82
0.198
MAK-UNK-702fb7d3-18
0.197
DAV-UNI-bdcebb58-3
0.197
MED-COV-4280ac29-17
0.197
BEN-BAS-2a7c309d-1
0.197
REN-UFA-aaaed2d6-2
0.196
GIA-UNK-5ec6c2b8-5
0.196
MAK-UNK-194150d3-14
0.195
MAK-UNK-10dfa458-14
0.195
WAR-XCH-b6889685-61
0.195
MAR-TRE-6a44bbf2-11
0.194
MAK-UNK-8fdbca50-3
0.194
MAK-UNK-8fdbca50-41
0.194
MAR-LAB-ff9967db-38
0.194
HIR-FOR-a67ea703-1
0.194
ALP-POS-a3de0cb1-9
0.194
ALP-POS-8ed8d9ec-13
0.194
MAK-UNK-3c359d2a-1
0.193
MAR-TRE-fd17a9b8-56
0.193
MAK-UNK-176ca439-4
0.193
MAT-POS-b5746674-53
0.192
PEI-IMP-3d837503-5
0.192
MAK-UNK-702fb7d3-17
0.192
YUN-WES-58b0dbae-3
0.191
WAR-XCH-bdd24732-37
0.191
GIA-UNK-20b63697-6
0.190
ARI-TAT-5792557e-14
0.190
BAR-COM-4e090d3a-34
0.190
REN-UFA-aaaed2d6-6
0.190
MAK-UNK-8fdbca50-2
0.189
MAK-UNK-194150d3-11
0.188
ROD-UFR-74bef589-1
0.188
MAK-UNK-a7992eb3-1
0.188
TOM-OIS-cbf37265-1
0.187
JUA-UNI-b93289a4-6
0.186
MAK-UNK-8fdbca50-32
0.186
SAD-SAT-29425be4-18
0.185
DAR-DIA-eace69ff-29
0.185
DAR-DIA-eace69ff-28
0.185
MAK-UNK-31051d4e-6
0.185
MAK-UNK-ec98eaf6-5
0.185
ARI-TAT-5792557e-22
0.184
REN-UFA-aaaed2d6-1
0.184
BEN-VAN-d8fd1356-26
0.184
MAK-UNK-702fb7d3-19
0.184
ROD-UFR-d767f115-1
0.183
GIA-UNK-d2defdc3-9
0.183
DAR-DIA-03336633-14
0.183
DRA-CSI-47e38074-2
0.183
PEI-IMP-e4a008a2-1
0.183
MAR-TRE-1c920f6f-2
0.183
MAT-POS-590ac91e-45
0.183
LON-WEI-b8d98729-5
0.182
DAV-UNI-bdcebb58-2
0.182
MAK-UNK-8fdbca50-1
0.182
MAK-UNK-b2c98f02-1
0.182
MAK-UNK-8fdbca50-17
0.182
MAK-UNK-8fdbca50-40
0.182
ALP-POS-bad7201a-12
0.182
SCO-CSI-071a6f1c-1
0.182
DRA-CSI-3ab97369-1
0.182
DRA-CSI-47e38074-3
0.182
MAK-UNK-8fdbca50-37
0.181
MAK-UNK-702fb7d3-3
0.181
MAK-UNK-702fb7d3-1
0.181
BAR-COM-4e090d3a-63
0.181