Molecular Properties | |
SMILES: | Cn1ncc2c(NC(=O)C3Cc4c(ccc(Cl)c4Cl)O3)cncc21 |
MW: | 362.03 |
Fraction sp3: | 0.19 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 69.04 |
cLogP: | 3.22 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
RUB-POS-1325a9ea-15
0.394
JUL-TUD-06b2044f-104
0.304
RAL-THA-05e671eb-27
0.291
EDJ-MED-e4b030d8-10
0.291
JUL-TUD-06b2044f-12
0.284
JUL-TUD-06b2044f-95
0.281
JUL-TUD-06b2044f-10
0.274
PET-UNK-b1ef24dc-27
0.267
RAL-THA-05e671eb-29
0.265
RAL-THA-05e671eb-28
0.265
MAT-POS-2e8b2191-2
0.265
EDJ-MED-e4b030d8-8
0.265
ADA-UCB-dc2b944c-16
0.265
MAR-UCB-6ab2ec87-5
0.264
PET-UNK-e274cad4-2
0.261
MAK-UNK-8be7dca9-10
0.261
MIC-UNK-f792ef5d-1
0.260
PET-UNK-b1ef24dc-7
0.259
DAR-DIA-0d514e7d-36
0.259
RAL-THA-05e671eb-30
0.259
PET-UNK-b1ef24dc-31
0.258
EDJ-MED-12c115cc-2
0.257
EDJ-MED-12c115cc-1
0.257
MAT-POS-f7918075-2
0.257
MAT-POS-bbbbc21a-2
0.257
ALP-POS-869ac754-2
0.255
ALP-UNI-c3ef0aba-1
0.255
MAT-POS-8a69d52e-7
0.254
DAR-DIA-0d514e7d-3
0.254
VLA-UNK-9a7dc93f-3
0.254
EDJ-MED-e4b030d8-11
0.254
MAT-POS-8a69d52e-4
0.254
ADA-UCB-dc2b944c-14
0.254
MAT-POS-8a69d52e-5
0.254
BRU-THA-01b12488-1
0.254
MAT-POS-8a69d52e-6
0.254
ADA-UCB-dc2b944c-13
0.254
ADA-UCB-dc2b944c-15
0.254
PET-UNK-e274cad4-3
0.254
MAT-POS-acfe5bae-1
0.254
MAT-POS-ee5e8e94-2
0.254
PET-UNK-b1ef24dc-35
0.254
FRA-DIA-0fa076fe-1
0.252
FRA-DIA-c7e803f4-1
0.252
DAR-DIA-0d514e7d-35
0.252
DAR-DIA-0d514e7d-34
0.252
ALF-EVA-5b152d2f-2
0.252
MAT-POS-14f31916-1
0.250
PET-UNK-0df12184-2
0.250
UNK-UNK-2ede4078-73
0.250
MAT-POS-d8472c4f-6
0.250
JUL-TUD-06b2044f-77
0.248
ALF-EVA-ced740bd-3
0.248
ALP-UNI-dbbfd3db-13
0.246
EDG-MED-90036822-83
0.246
EDJ-MED-036ae2e9-8
0.246
ERI-UCB-b3e6b0c2-7
0.246
PET-UNK-b38839dc-6
0.246
RAL-THA-05e671eb-31
0.246
PET-UNK-b1ef24dc-23
0.246
EDJ-MED-e4b030d8-13
0.246
BEN-BAS-c2bc0d80-4
0.246
VLA-UCB-1dbca3b4-14
0.246
MAT-POS-f39f51fd-1
0.246
EDJ-MED-e4b030d8-1
0.246
BEN-DND-a7517465-4
0.246
MAT-POS-8e4737f4-1
0.246
DAR-DIA-6a508060-10
0.246
DAR-DIA-0d514e7d-30
0.246
ALF-EVA-ced740bd-4
0.245
FRA-DIA-0fa076fe-2
0.245
EDG-MED-90036822-75
0.244
EDG-MED-90036822-74
0.244
PET-UNK-b38839dc-8
0.244
PET-UNK-c761fc18-1
0.244
PET-UNK-03fd2068-3
0.244
DAR-DIA-0d514e7d-27
0.244
MAT-POS-fb82b63d-3
0.243
MAT-POS-2e8b2191-3
0.243
ERI-UCB-b3e6b0c2-10
0.243
PET-UNK-c0891748-6
0.243
PET-UNK-c0891748-12
0.243
EDJ-MED-00143744-1
0.243
EDG-MED-90036822-65
0.242
PET-UNK-b38839dc-7
0.242
PET-UNK-c65ea24c-9
0.242
EDJ-MED-1b5395f9-6
0.242
MAT-POS-14f31916-3
0.242
PET-UNK-b38839dc-5
0.242
TET-ENA-1a76f195-1
0.242
TET-ENA-382364b7-1
0.242
EDJ-MED-1b5395f9-5
0.242
EDJ-MED-1b5395f9-4
0.242
RAL-THA-05e671eb-9
0.241
PET-UNK-b1ef24dc-15
0.241
ERI-UCB-b3e6b0c2-1
0.241
PET-UNK-b78139fa-1
0.241
PET-UNK-407a74a5-5
0.241
ALP-POS-d3acb8cc-2
0.241
MAT-POS-8a69d52e-3
0.241