Molecular Properties | |
SMILES: | O=C1CC(CCc2ccc(Cl)c(Cl)c2)CN1c1cncc2cnccc12 |
MW: | 385.07 |
Fraction sp3: | 0.25 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 46.09 |
cLogP: | 4.92 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
VLA-UNK-82501c2c-1
0.382
ALP-POS-e0fe77e5-2
0.340
ALP-UNI-3735e77e-1
0.333
ALP-POS-e0fe77e5-1
0.333
VLA-UNK-82501c2c-3
0.333
VLA-UNK-56836b69-6
0.311
JUL-TUD-06b2044f-89
0.304
VLA-UNK-82501c2c-2
0.302
PET-UNK-c9c1e0d8-3
0.301
BEN-DND-34fc7f90-4
0.299
JUL-TUD-06b2044f-46
0.296
MAT-POS-bb423b95-1
0.292
DAR-DIA-f6ee7aeb-6
0.291
EDG-MED-5d232de5-8
0.282
EDG-MED-5d232de5-7
0.282
DAR-DIA-0f7b7cd9-5
0.282
PET-UNK-c9c1e0d8-4
0.282
GIA-UNK-80c9bc96-1
0.282
JUL-TUD-06b2044f-47
0.278
PET-UNK-2c6614b6-9
0.278
DAR-DIA-f6ee7aeb-5
0.276
JUL-TUD-06b2044f-51
0.275
PET-UNK-b78139fa-9
0.274
BEN-DND-d1eb1f41-15
0.274
MIC-UNK-d854bf4c-4
0.272
ALP-POS-ce760d3f-8
0.272
DAR-DIA-f6ee7aeb-4
0.271
BEN-DND-34fc7f90-7
0.271
VLA-UNK-56836b69-4
0.271
BEN-DND-34fc7f90-1
0.271
DAR-DIA-6be260fc-2
0.270
ALP-UNI-58319883-1
0.269
ALP-POS-ce760d3f-2
0.269
BEN-DND-4f474d93-3
0.269
BEN-DND-4f474d93-1
0.269
PET-UNK-f4e47ebd-10
0.268
ALP-POS-e0fe77e5-3
0.267
BEN-DND-d1eb1f41-8
0.266
BEN-DND-61647d40-15
0.265
DAR-DIA-5a24bef0-8
0.265
BEN-DND-d1eb1f41-7
0.264
MAT-POS-24589f88-14
0.264
BEN-DND-d1eb1f41-9
0.264
DAR-DIA-0f7b7cd9-10
0.262
ALP-UNI-8d415491-3
0.262
MIC-UNK-d854bf4c-2
0.261
DAR-DIA-6be260fc-4
0.261
PET-UNK-431b3bfb-1
0.259
ALP-UNI-58319883-2
0.259
MIC-UNK-d854bf4c-8
0.259
DAR-DIA-f6ee7aeb-1
0.258
MAT-POS-50a80394-4
0.258
MAT-POS-50a80394-5
0.258
EDJ-MED-28b38b9b-2
0.258
ALP-POS-afe0272e-1
0.258
DAR-DIA-f6ee7aeb-3
0.258
ALP-POS-e0fe77e5-11
0.257
DAR-DIA-6be260fc-3
0.257
EDJ-MED-28b38b9b-3
0.256
MAT-POS-23a8a11a-1
0.255
DAR-DIA-0f7b7cd9-7
0.255
PET-UNK-689df078-3
0.255
JUL-TUD-06b2044f-45
0.255
DAR-DIA-5d6f1b43-12
0.255
ALP-POS-df536be7-4
0.254
DAR-DIA-f6ee7aeb-2
0.254
MAT-POS-1f3f1a6f-5
0.252
MIC-UNK-50cce87d-10
0.252
PET-UNK-1e13ef09-5
0.252
PET-UNK-b78139fa-18
0.252
PET-UNK-4b4f2bb7-9
0.252
JUL-TUD-06b2044f-84
0.252
PET-UNK-6af7266d-1
0.252
PET-UNK-6af7266d-3
0.252
ALP-POS-e0fe77e5-5
0.250
EDJ-MED-28b38b9b-1
0.250
MAT-POS-50a80394-6
0.250
JUL-TUD-06b2044f-112
0.250
PET-UNK-f4e47ebd-6
0.250
EDJ-MED-8bb691af-3
0.250
VLA-UCB-1dbca3b4-18
0.250
ALP-POS-bb8a3193-9
0.250
ALP-POS-afe0272e-2
0.250
VLA-UNK-5d8210f0-2
0.250
PET-UNK-abc197b8-1
0.250
MIC-UNK-d854bf4c-6
0.248
PET-UNK-f4e47ebd-14
0.248
EDJ-MED-159244ea-3
0.248
MAT-POS-983b399a-3
0.248
DAR-DIA-6be260fc-1
0.248
JAG-UCB-f37eaa14-2
0.248
VLA-UCB-1dbca3b4-6
0.248
PET-UNK-7be94445-2
0.248
EDJ-MED-40e596c8-5
0.246
JAG-UCB-f37eaa14-9
0.246
MIC-UNK-d854bf4c-3
0.246
ALP-POS-e0fe77e5-10
0.246
PET-UNK-7b413b46-4
0.245
PET-UNK-7b413b46-8
0.245
JAG-UCB-f37eaa14-5
0.244