Molecular Properties | |
SMILES: | O=C(Nc1cnc2ccc(F)cn12)C1CCc2cc(Cl)c(Cl)cc21 |
MW: | 363.03 |
Fraction sp3: | 0.18 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 46.4 |
cLogP: | 4.45 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
JUL-TUD-06b2044f-1
1.000
JUL-TUD-06b2044f-3
0.516
EDJ-MED-6e43a462-8
0.444
JUL-TUD-06b2044f-23
0.432
BEN-DND-a02b439d-8
0.424
BEN-DND-a02b439d-9
0.423
BEN-DND-a02b439d-7
0.423
JUL-TUD-06b2044f-2
0.417
MAT-POS-500f4700-2
0.414
BEN-DND-02317c5c-5
0.414
BEN-DND-02317c5c-4
0.388
BEN-DND-02317c5c-7
0.388
BEN-DND-02317c5c-2
0.386
MAT-POS-51833a24-2
0.385
MAR-UCB-fd2e172f-17
0.377
JUL-TUD-06b2044f-42
0.374
BEN-DND-02317c5c-6
0.343
EDJ-MED-827e7cb4-8
0.333
BEN-DND-02317c5c-3
0.333
MAT-POS-51833a24-1
0.333
JUL-TUD-06b2044f-40
0.330
JUL-TUD-06b2044f-60
0.316
EDJ-MED-1b5395f9-5
0.310
EDJ-MED-1b5395f9-6
0.310
EDJ-MED-1b5395f9-4
0.310
JUL-TUD-06b2044f-5
0.308
LON-WEI-0a73fcb8-3
0.300
MAT-POS-51833a24-5
0.300
BEN-DND-a02b439d-5
0.299
BEN-DND-a02b439d-6
0.299
BEN-DND-a02b439d-4
0.296
EDJ-MED-827e7cb4-7
0.296
EDJ-MED-6e43a462-9
0.296
JUL-TUD-06b2044f-22
0.291
EDJ-MED-6e43a462-13
0.291
MAT-POS-51833a24-6
0.289
EDJ-MED-611d11e7-5
0.288
ALP-UNI-8d415491-6
0.288
MAT-POS-ec6d90b7-5
0.288
EDJ-MED-6e43a462-10
0.287
EDJ-MED-b24713dc-3
0.287
EDJ-MED-6e43a462-12
0.284
ADA-UCB-6c2cb422-2
0.284
BEN-DND-02317c5c-1
0.283
JUL-TUD-06b2044f-50
0.282
JUL-TUD-06b2044f-61
0.280
BEN-DND-34fc7f90-5
0.279
EDJ-MED-6e43a462-2
0.279
BEN-DND-f06bfa8e-1
0.274
BEN-DND-34fc7f90-3
0.274
EDJ-MED-ee742daa-2
0.274
JUL-TUD-06b2044f-157
0.274
MAT-POS-51833a24-4
0.272
BEN-DND-f06bfa8e-4
0.272
BEN-DND-34fc7f90-2
0.270
BEN-DND-34fc7f90-6
0.270
MAT-POS-51833a24-3
0.268
BEN-DND-34fc7f90-4
0.268
BEN-DND-a02b439d-15
0.268
BEN-DND-34fc7f90-8
0.268
BEN-DND-a02b439d-2
0.267
ALF-EVA-b701bd13-6
0.265
BEN-DND-a02b439d-1
0.265
JUL-TUD-06b2044f-44
0.264
BEN-DND-34fc7f90-1
0.264
BEN-DND-34fc7f90-7
0.264
BEN-DND-a02b439d-14
0.264
ALP-UNI-8d415491-1
0.262
MAT-POS-64942dd0-2
0.261
PET-UNK-03fd2068-5
0.261
DAR-DIA-06c53477-3
0.259
DAR-DIA-06c53477-1
0.259
DAR-DIA-06c53477-2
0.259
EDJ-MED-1b5395f9-3
0.258
EDJ-MED-1b5395f9-1
0.258
EDJ-MED-1b5395f9-2
0.258
PET-UNK-8df914d1-2
0.257
PET-UNK-158bee2a-8
0.255
PET-UNK-2c6614b6-6
0.254
EDJ-MED-611d11e7-6
0.254
MAT-POS-ec6d90b7-7
0.254
MAT-POS-96f51285-5
0.254
BEN-DND-a02b439d-11
0.254
EDJ-MED-94fddcec-2
0.250
EDJ-MED-611d11e7-11
0.250
ALP-UNI-8d415491-4
0.250
PET-UNK-03fd2068-6
0.248
BEN-DND-a02b439d-10
0.248
PET-UNK-1b92fa34-4
0.248
ALP-UNI-8d415491-2
0.248
PET-UNK-3e029fdc-1
0.248
JOH-UNI-1b27fa5e-7
0.248
RAL-THA-3d7a794f-1
0.248
JUL-TUD-06b2044f-62
0.246
ALF-EVA-b701bd13-5
0.246
NAU-LAT-8502cac5-14
0.246
ALF-EVA-82cf4849-9
0.243
RAL-THA-3d7a794f-3
0.243
ALP-UNI-8d415491-3
0.243
RAL-THA-3d7a794f-4
0.243