Molecular Properties | |
SMILES: | O=C(Nc1cncc2n[nH]cc12)C1Cc2cc(Cl)c(Cl)cc21 |
MW: | 332.02 |
Fraction sp3: | 0.13 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 70.67 |
cLogP: | 3.54 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
JUL-TUD-06b2044f-50
0.482
JUL-TUD-06b2044f-60
0.447
JUL-TUD-06b2044f-22
0.427
JUL-TUD-06b2044f-62
0.396
JUL-TUD-06b2044f-61
0.394
BEN-DND-34fc7f90-5
0.388
BEN-DND-a02b439d-14
0.385
BEN-DND-34fc7f90-7
0.385
BEN-DND-34fc7f90-6
0.378
BEN-DND-34fc7f90-4
0.374
BEN-DND-a02b439d-15
0.374
BEN-DND-34fc7f90-8
0.374
BEN-DND-a02b439d-10
0.373
BEN-DND-34fc7f90-1
0.371
BEN-DND-a02b439d-2
0.369
BEN-DND-a02b439d-3
0.368
BEN-DND-34fc7f90-3
0.366
BEN-DND-a02b439d-11
0.365
VLA-UNK-56836b69-1
0.364
MIC-UNK-8758c41d-3
0.364
BEN-DND-34fc7f90-2
0.364
ALP-POS-fe871b40-16
0.364
EDJ-MED-1b5395f9-2
0.355
EDJ-MED-1b5395f9-1
0.355
EDJ-MED-1b5395f9-3
0.355
JUL-TUD-06b2044f-5
0.354
BEN-DND-a02b439d-1
0.352
ALF-EVA-82cf4849-9
0.347
EDJ-MED-1b5395f9-5
0.340
EDJ-MED-1b5395f9-6
0.340
EDJ-MED-1b5395f9-4
0.340
ALF-EVA-b701bd13-4
0.337
ALP-UNI-8d415491-3
0.333
EDJ-MED-611d11e7-8
0.330
MAT-POS-ec6d90b7-6
0.330
MAT-POS-96f51285-6
0.330
ALF-EVA-b701bd13-6
0.330
ALP-POS-fe871b40-15
0.327
MAT-POS-78e1d523-5
0.327
MAT-POS-78e1d523-6
0.327
EDJ-MED-611d11e7-11
0.327
ALP-UNI-8d415491-4
0.327
MAT-POS-f9802937-8
0.327
MAT-POS-f9802937-9
0.327
ALP-UNI-3735e77e-4
0.327
JUL-TUD-06b2044f-2
0.327
MAT-POS-f39f51fd-1
0.324
BEN-DND-f06bfa8e-6
0.324
ALF-EVA-b701bd13-2
0.321
VLA-UNK-9a7dc93f-3
0.320
ALF-EVA-b701bd13-5
0.320
EDJ-MED-611d11e7-2
0.318
ALP-UNI-8d415491-5
0.318
MAT-POS-ec6d90b7-5
0.317
MIC-UNK-45817b9b-2
0.317
EDJ-MED-611d11e7-5
0.317
JUL-TUD-06b2044f-46
0.317
ALP-UNI-8d415491-6
0.317
BEN-DND-f06bfa8e-1
0.314
MIC-UNK-8758c41d-2
0.314
ROB-UNI-6ee2df8c-1
0.314
ALF-EVA-82cf4849-6
0.311
MAT-POS-43c25e9b-1
0.311
EDJ-MED-a6bd50ad-1
0.311
MAT-POS-43c25e9b-2
0.311
MIC-UNK-45817b9b-1
0.311
ALF-EVA-b701bd13-1
0.308
ALF-EVA-82cf4849-7
0.308
PET-UNK-9b23ef84-3
0.306
ALF-EVA-82cf4849-10
0.306
RYA-UNI-6d7114fd-1
0.304
RAL-THA-05e671eb-2
0.304
ALP-POS-869ac754-1
0.304
VLA-UNK-56836b69-4
0.304
MIC-UNK-8758c41d-1
0.301
JUL-TUD-06b2044f-23
0.300
PET-UNK-1b92fa34-3
0.299
BEN-BAS-c2bc0d80-4
0.298
ALP-POS-fe871b40-13
0.296
PET-UNK-1b92fa34-4
0.296
PET-UNK-f4e47ebd-16
0.296
PET-UNK-f4e47ebd-15
0.296
ROB-UNI-322e8f70-2
0.295
ALF-EVA-82cf4849-1
0.295
JUL-TUD-06b2044f-10
0.293
MAT-POS-dd3ad2b5-1
0.292
ALP-UNI-ba800595-2
0.292
ALP-POS-fe871b40-10
0.292
BEN-DND-f2e727cd-6
0.292
ALP-POS-fe871b40-14
0.292
MAT-POS-64942dd0-1
0.292
MAT-POS-14f31916-1
0.290
MAT-POS-d8472c4f-6
0.290
ALF-EVA-82cf4849-5
0.290
ERI-UCB-b3e6b0c2-9
0.289
ALP-UNI-ba800595-1
0.288
MAT-POS-3ccb8ef6-1
0.288
MAT-POS-d8472c4f-5
0.288
MAR-UCB-6ab2ec87-6
0.288
MAT-POS-3ccb8ef6-2
0.288