Molecular Properties | |
SMILES: | CCc1cc(OC2CCCCC2)c2c(c1)c(CN(C)C)cn2S(=O)(=O)N1CCCCC1 |
MW: | 447.645 |
Fraction sp3: | 0.67 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 7 |
TPSA: | 54.78 |
cLogP: | 4.5556 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
AAR-POS-d2a4d1df-2
DAR-DIA-eace69ff-5
0.616
DAR-DIA-eace69ff-16
0.560
DAR-DIA-eace69ff-4
0.533
DAR-DIA-eace69ff-13
0.528
DAR-DIA-eace69ff-11
0.516
DAR-DIA-eace69ff-14
0.505
DAR-DIA-eace69ff-15
0.500
DAR-DIA-eace69ff-9
0.489
DAR-DIA-eace69ff-27
0.416
DAR-DIA-eace69ff-19
0.411
DAR-DIA-eace69ff-2
0.404
DAR-DIA-eace69ff-18
0.400
DAR-DIA-eace69ff-7
0.392
DAR-DIA-eace69ff-3
0.385
DAR-DIA-eace69ff-8
0.369
DAR-DIA-eace69ff-17
0.357
DAR-DIA-eace69ff-6
0.333
DAR-DIA-eace69ff-10
0.321
DAR-DIA-eace69ff-12
0.295
DAR-DIA-eace69ff-24
0.283
DAR-DIA-eace69ff-29
0.265
DAR-DIA-eace69ff-28
0.265
DAR-DIA-eace69ff-20
0.260
DAR-DIA-eace69ff-25
0.253
DAR-DIA-eace69ff-26
0.222
BEN-VAN-d8fd1356-25
0.217
BAR-COM-4e090d3a-65
0.211
DAR-DIA-eace69ff-34
0.211
DRA-CSI-7ec17797-12
0.209
BEN-VAN-d8fd1356-27
0.209
WAR-XCH-b6889685-55
0.206
DAR-DIA-eace69ff-22
0.204
DAR-DIA-eace69ff-23
0.202
BEN-VAN-d8fd1356-26
0.202
AHN-SAT-de2502ba-10
0.196
TIM-UNK-bbdeee69-1
0.196
BEN-VAN-d8fd1356-29
0.195
BAR-COM-4e090d3a-26
0.195
JUL-TUD-06b2044f-114
0.194
DAR-DIA-eace69ff-30
0.194
ALI-DIA-59c2fdb0-3
0.193
MED-COV-4280ac29-17
0.193
MIC-UNK-c85ea37c-1
0.192
MAK-UNK-69bf97dd-1
0.191
DAR-DIA-eace69ff-21
0.190
MAK-UNK-df1a028e-5
0.190
MAK-UNK-3c359d2a-1
0.190
MAK-UNK-176ca439-4
0.190
MAK-UNK-69bf97dd-9
0.189
MAT-POS-b5746674-114
0.189
ALP-POS-df536be7-4
0.189
ALI-DIA-59c2fdb0-2
0.189
BEN-VAN-d8fd1356-28
0.188
SAD-SAT-2fd372d1-3
0.188
ALP-POS-bb8a3193-8
0.187
LON-WEI-b2874fec-11
0.187
MAT-POS-40ad851a-4
0.187
AHN-SAT-de2502ba-2
0.186
MAR-TRE-6a44bbf2-30
0.186
ANT-OPE-47f3bb65-2
0.186
PET-UNK-d61f3ea6-1
0.186
DAR-DIA-0d514e7d-4
0.186
MAT-POS-ea426761-90
0.185
LON-WEI-b8d98729-34
0.184
TOM-OIS-cbf37265-2
0.184
ANT-OPE-47f3bb65-1
0.184
ANT-OPE-47f3bb65-3
0.184
MAK-UNK-69bf97dd-7
0.184
MAK-UNK-a7992eb3-1
0.184
DAR-DIA-eace69ff-31
0.183
ROM-UNK-ef52a3c9-3
0.183
LON-WEI-b2874fec-13
0.182
MAK-UNK-ec98eaf6-5
0.181
MAK-UNK-10dfa458-14
0.181
ZAC-WAB-86e8bacf-1
0.180
LON-WEI-b2874fec-5
0.180
JAR-KUA-41bd5a3d-11
0.180
MAT-POS-50a80394-2
0.180
MIC-UNK-eb20c3e1-3
0.180
MIK-ENA-be04d1d4-1
0.180
MIK-ENA-e143773d-1
0.180
MIK-ENA-edcfce18-1
0.180
MIK-ENA-0547b12c-1
0.180
ALP-POS-bb8a3193-4
0.180
SAD-SAT-29425be4-30
0.179
LUO-POS-d1147590-1
0.179
MAK-UNK-a7992eb3-7
0.179
WAR-XCH-79d12f6e-4
0.178
CLI-UNI-032f7715-4
0.178
AHN-SAT-de2502ba-11
0.178
EDJ-MED-139368ae-2
0.177
MAR-TRE-fd17a9b8-22
0.177
MAT-POS-ea426761-98
0.177
ALP-UNI-58319883-1
0.176
EDJ-MED-28b38b9b-2
0.176
MAK-UNK-8fdbca50-26
0.175
MAK-UNK-8fdbca50-39
0.175
MIC-UNK-257d841f-2
0.175
ALP-POS-bb8a3193-9
0.175
LUO-POS-eaf50f21-4
0.175