Molecular Properties | |
SMILES: | O=C(Nc1cnn2c1CCCC2)C1CCc2cc(Cl)c(Cl)cc21 |
MW: | 349.07 |
Fraction sp3: | 0.41 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 46.92 |
cLogP: | 4.19 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
JUL-TUD-06b2044f-22
0.720
JUL-TUD-06b2044f-2
0.535
EDJ-MED-dd2a8363-3
0.474
JUL-TUD-ba2aea69-1
0.432
JUL-TUD-06b2044f-1
0.432
JUL-TUD-06b2044f-3
0.426
JUL-TUD-06b2044f-42
0.375
JUL-TUD-06b2044f-40
0.343
JUL-TUD-06b2044f-60
0.330
JUL-TUD-06b2044f-50
0.320
ADA-UCB-6c2cb422-2
0.309
ALP-UNI-8d415491-2
0.305
BEN-DND-a02b439d-15
0.302
BEN-DND-34fc7f90-8
0.302
JUL-TUD-06b2044f-44
0.300
JUL-TUD-06b2044f-5
0.295
JUL-TUD-06b2044f-61
0.291
BEN-DND-34fc7f90-4
0.290
ALF-EVA-b701bd13-5
0.290
BEN-DND-a02b439d-2
0.288
JUL-TUD-06b2044f-10
0.287
ALF-EVA-b701bd13-6
0.287
BEN-DND-a02b439d-14
0.286
BEN-DND-34fc7f90-3
0.284
ALP-UNI-8d415491-1
0.284
JUL-TUD-06b2044f-157
0.284
BEN-DND-a02b439d-8
0.280
DAR-DIA-06c53477-2
0.280
DAR-DIA-06c53477-3
0.280
DAR-DIA-06c53477-1
0.280
BEN-DND-34fc7f90-5
0.278
BEN-DND-a02b439d-9
0.276
ALF-EVA-82cf4849-9
0.276
BEN-DND-a02b439d-7
0.276
BEN-DND-a02b439d-1
0.274
BEN-DND-a02b439d-11
0.274
ALP-POS-869ac754-1
0.274
BEN-DND-34fc7f90-1
0.274
BEN-DND-34fc7f90-7
0.274
RYA-UNI-6d7114fd-1
0.274
RAL-THA-05e671eb-2
0.274
EDJ-MED-ee742daa-2
0.272
MAT-POS-78e1d523-6
0.271
ROB-UNI-6ee2df8c-1
0.271
BEN-DND-a02b439d-4
0.271
MAT-POS-f9802937-9
0.271
ALP-POS-477dc5b7-1
0.271
ALP-UNI-3735e77e-4
0.271
MIC-UNK-91acba05-4
0.271
MAT-POS-f9802937-8
0.271
MAT-POS-78e1d523-5
0.271
MIC-UNK-8758c41d-1
0.271
BEN-DND-34fc7f90-2
0.269
BEN-DND-34fc7f90-6
0.269
MAR-TRE-66ac689e-78
0.268
BEN-DND-a02b439d-3
0.267
JUL-TUD-06b2044f-62
0.265
ALP-UNI-8d415491-3
0.264
EDJ-MED-1b5395f9-5
0.263
EDJ-MED-1b5395f9-6
0.263
EDJ-MED-1b5395f9-4
0.263
VLA-UNK-56836b69-4
0.262
MAT-POS-a2421bb6-4
0.262
BEN-DND-a02b439d-6
0.262
BEN-DND-a02b439d-5
0.262
JUL-TUD-06b2044f-13
0.261
EDJ-MED-611d11e7-11
0.259
ALP-UNI-8d415491-4
0.259
JUL-TUD-06b2044f-11
0.257
BEN-DND-f06bfa8e-6
0.257
BEN-DND-a02b439d-10
0.257
EDJ-MED-1b5395f9-1
0.256
EDJ-MED-1b5395f9-2
0.256
EDJ-MED-1b5395f9-3
0.256
EDJ-MED-dd2a8363-2
0.255
PET-UNK-9b23ef84-3
0.254
ALF-EVA-82cf4849-10
0.254
PET-UNK-158bee2a-6
0.253
PET-UNK-158bee2a-8
0.253
JAG-UCB-c61058a9-11
0.252
ALP-POS-d91e0300-1
0.252
ALP-POS-fe871b40-9
0.252
MAT-POS-ec6d90b7-5
0.252
EDJ-MED-611d11e7-5
0.252
MAT-POS-a13804f0-2
0.252
ALP-UNI-8d415491-6
0.252
RAL-THA-05e671eb-10
0.252
MAT-POS-a13804f0-3
0.252
BEN-DND-f06bfa8e-1
0.250
JUL-TUD-06b2044f-12
0.250
BAR-COM-0f94fc3d-50
0.250
BEN-DND-f06bfa8e-4
0.248
VLA-UNK-8e76d113-2
0.248
BAR-COM-0f94fc3d-43
0.248
ALF-EVA-82cf4849-6
0.248
RAL-THA-4aa06b95-6
0.248
BEN-DND-02317c5c-2
0.248
MAT-POS-500f4700-2
0.248
BEN-DND-02317c5c-5
0.248
ALF-EVA-b701bd13-1
0.246