Molecular Properties | |
SMILES: | O=C(Nc1cnn(CC2CCOC2)c1)C1Cc2cc(Cl)c(Cl)cc21 |
MW: | 365.07 |
Fraction sp3: | 0.41 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 56.15 |
cLogP: | 3.5 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
JUL-TUD-06b2044f-99
0.458
JUL-TUD-06b2044f-60
0.418
JUL-TUD-06b2044f-50
0.404
JUL-TUD-06b2044f-22
0.400
JUL-TUD-06b2044f-61
0.398
JUL-TUD-06b2044f-62
0.374
JUL-TUD-06b2044f-44
0.354
BEN-DND-a02b439d-7
0.340
JUL-TUD-06b2044f-2
0.320
BEN-DND-a02b439d-6
0.311
JUL-TUD-06b2044f-1
0.308
JUL-TUD-ba2aea69-1
0.308
BEN-DND-a02b439d-8
0.306
BEN-DND-a02b439d-9
0.302
JUL-TUD-06b2044f-23
0.295
BEN-DND-34fc7f90-2
0.294
BEN-DND-34fc7f90-1
0.287
BEN-DND-02317c5c-2
0.284
BEN-DND-a02b439d-4
0.284
JUL-TUD-06b2044f-3
0.278
JUL-TUD-06b2044f-10
0.276
BEN-DND-a02b439d-5
0.275
JUL-TUD-06b2044f-7
0.270
JUL-TUD-06b2044f-42
0.267
BEN-DND-02317c5c-4
0.265
BEN-DND-34fc7f90-3
0.263
JUL-TUD-06b2044f-63
0.259
BEN-DND-34fc7f90-8
0.257
BEN-DND-a02b439d-15
0.257
BEN-DND-34fc7f90-4
0.257
BEN-DND-a02b439d-2
0.256
EDJ-MED-1b5395f9-5
0.254
EDJ-MED-1b5395f9-6
0.254
EDJ-MED-1b5395f9-4
0.254
JUL-TUD-06b2044f-148
0.252
BEN-DND-02317c5c-3
0.250
MAT-POS-51833a24-1
0.250
MAT-POS-500f4700-2
0.250
JUL-TUD-06b2044f-105
0.250
BEN-DND-02317c5c-5
0.250
JUL-TUD-06b2044f-157
0.250
BEN-DND-34fc7f90-6
0.248
BEN-DND-34fc7f90-5
0.246
MAR-TRE-f5c2d31c-42
0.246
NAU-LAT-b7d8c353-1
0.245
BEN-DND-a02b439d-11
0.244
BEN-DND-a02b439d-1
0.244
RAL-THA-3d7a794f-3
0.243
JUL-TUD-06b2044f-66
0.243
MAR-TRE-f5c2d31c-13
0.241
MAT-POS-51833a24-2
0.241
BEN-DND-34fc7f90-7
0.241
BEN-DND-a02b439d-14
0.241
NAU-LAT-8502cac5-16
0.239
JAG-UCB-c61058a9-41
0.239
MAR-TRE-c317dd82-7
0.238
BEN-DND-a02b439d-3
0.238
EDJ-MED-1b5395f9-1
0.238
EDJ-MED-1b5395f9-2
0.238
EDJ-MED-1b5395f9-3
0.238
ALF-EVA-b701bd13-2
0.237
JUL-TUD-06b2044f-8
0.236
JOH-UNI-1b27fa5e-7
0.236
MAT-POS-61f37a1a-7
0.236
KAD-UNI-cb0f2bbc-24
0.236
EDG-MED-fe7487f8-8
0.234
JUL-TUD-06b2044f-86
0.234
JUL-TUD-06b2044f-46
0.233
BEN-DND-02317c5c-7
0.233
STE-NAN-bafe64f0-1
0.233
MAR-TRE-f5c2d31c-81
0.232
JUL-TUD-06b2044f-140
0.232
JUL-TUD-06b2044f-40
0.231
EDJ-MED-51d3200d-2
0.231
RAL-THA-05e671eb-2
0.230
ALP-POS-869ac754-1
0.230
VLA-UNK-56836b69-4
0.230
RYA-UNI-6d7114fd-1
0.230
ALF-EVA-82cf4849-6
0.229
RAL-THA-9041a04d-7
0.229
ROB-UNI-6ee2df8c-1
0.228
MAT-POS-afb6844f-3
0.228
BEN-DND-a02b439d-10
0.227
MAR-TRE-04c86cea-40
0.226
ALP-POS-88a7a97e-26
0.226
RAL-THA-3d7a794f-1
0.225
PET-UNK-3e029fdc-1
0.225
JUL-TUD-06b2044f-11
0.225
MAT-POS-8293a91a-1
0.225
JUL-TUD-06b2044f-41
0.225
NAU-LAT-8502cac5-14
0.224
MAR-TRE-67513f76-75
0.223
MAK-UNK-f481d203-1
0.223
MAK-UNK-919546f0-1
0.223
MAK-UNK-f481d203-2
0.223
MAR-TRE-799db12b-4
0.223
ALF-EVA-5b152d2f-8
0.223
LON-WEI-0a73fcb8-3
0.222
MAT-POS-96f51285-5
0.222
EDJ-MED-378a25ea-18
0.222