Molecular Properties | |
SMILES: | O=C(Nc1cnn2c1CCCC2)C1Cc2cc(Cl)c(Cl)cc21 |
MW: | 335.06 |
Fraction sp3: | 0.38 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 46.92 |
cLogP: | 3.8 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
JUL-TUD-06b2044f-23
0.720
EDJ-MED-dd2a8363-3
0.489
JUL-TUD-06b2044f-50
0.453
JUL-TUD-06b2044f-60
0.452
JUL-TUD-06b2044f-44
0.427
JUL-TUD-06b2044f-5
0.400
JUL-TUD-06b2044f-61
0.398
JUL-TUD-06b2044f-62
0.373
JUL-TUD-06b2044f-2
0.358
BEN-DND-34fc7f90-8
0.311
BEN-DND-a02b439d-15
0.311
BEN-DND-a02b439d-8
0.301
BEN-DND-34fc7f90-4
0.298
BEN-DND-a02b439d-7
0.297
BEN-DND-a02b439d-9
0.297
JUL-TUD-06b2044f-10
0.296
BEN-DND-a02b439d-14
0.294
BEN-DND-34fc7f90-3
0.292
JUL-TUD-ba2aea69-1
0.291
JUL-TUD-06b2044f-1
0.291
MAR-TRE-66ac689e-78
0.290
BEN-DND-a02b439d-3
0.286
BEN-DND-a02b439d-2
0.284
JUL-TUD-06b2044f-3
0.284
BEN-DND-a02b439d-1
0.282
BEN-DND-a02b439d-11
0.282
BEN-DND-34fc7f90-1
0.282
BEN-DND-34fc7f90-7
0.282
BEN-DND-a02b439d-4
0.279
JUL-TUD-06b2044f-11
0.277
BEN-DND-34fc7f90-6
0.276
BEN-DND-34fc7f90-2
0.276
BEN-DND-34fc7f90-5
0.274
EDJ-MED-1b5395f9-4
0.270
EDJ-MED-1b5395f9-5
0.270
EDJ-MED-1b5395f9-6
0.270
JUL-TUD-06b2044f-49
0.270
BEN-DND-a02b439d-6
0.269
BEN-DND-a02b439d-5
0.269
ALP-UNI-8d415491-2
0.264
MIC-UNK-8758c41d-3
0.264
VLA-UNK-56836b69-1
0.264
ALP-POS-fe871b40-16
0.264
BEN-DND-a02b439d-10
0.264
EDJ-MED-1b5395f9-1
0.263
EDJ-MED-1b5395f9-2
0.263
EDJ-MED-1b5395f9-3
0.263
PET-UNK-9b23ef84-3
0.261
JUL-TUD-06b2044f-42
0.261
MIC-UNK-45817b9b-2
0.259
JUL-TUD-06b2044f-46
0.259
JUL-TUD-06b2044f-21
0.257
BAR-COM-0f94fc3d-59
0.255
JUL-TUD-06b2044f-157
0.255
MAT-POS-ea426761-30
0.255
MAT-POS-f39f51fd-1
0.252
VLA-UNK-9a7dc93f-3
0.250
ALF-EVA-b701bd13-6
0.248
ALF-EVA-82cf4849-9
0.248
EDJ-MED-c7fc9efa-2
0.245
JUL-TUD-06b2044f-13
0.245
RYA-UNI-6d7114fd-1
0.245
MAT-POS-a2421bb6-4
0.245
RAL-THA-05e671eb-2
0.245
ALP-POS-869ac754-1
0.245
PET-UNK-1b92fa34-3
0.243
BEN-DND-02317c5c-2
0.243
MIC-UNK-8758c41d-1
0.243
MIC-UNK-8758c41d-2
0.243
ALP-UNI-8d415491-1
0.243
JUL-TUD-06b2044f-4
0.241
DAR-DIA-06c53477-1
0.241
DAR-DIA-06c53477-2
0.241
DAR-DIA-06c53477-3
0.241
RAL-THA-8416115c-4
0.239
EDJ-MED-c7fc9efa-1
0.239
ALF-EVA-b701bd13-5
0.239
ALF-EVA-b701bd13-4
0.238
PET-UNK-9b23ef84-7
0.238
PET-UNK-9b23ef84-10
0.238
MAR-UCB-fd2e172f-38
0.237
BEN-DND-f2e727cd-6
0.236
MAT-POS-dd3ad2b5-1
0.236
JUL-TUD-06b2044f-40
0.235
MAT-POS-64942dd0-3
0.235
ALP-POS-fe871b40-15
0.234
JUL-TUD-06b2044f-103
0.234
MAT-POS-81ae2990-7
0.234
MAT-POS-b4d6b7fc-8
0.234
JUL-TUD-06b2044f-12
0.234
VLA-UNK-56836b69-4
0.234
MAT-POS-e9e99895-13
0.233
RAI-NOV-2f6a9876-1
0.232
RAL-THA-4aa06b95-6
0.232
MIC-UNK-91acba05-4
0.231
MAT-POS-f9802937-8
0.231
BEN-DND-02317c5c-5
0.231
ALP-POS-477dc5b7-1
0.231
ALP-UNI-3735e77e-4
0.231
MAR-UCB-6ab2ec87-6
0.231