Molecular Properties | |
SMILES: | O=C(Nc1cncc2cnccc12)[C@@H]1COCc2cc(Cl)c(Cl)cc21 |
MW: | 373.04 |
Fraction sp3: | 0.17 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 64.11 |
cLogP: | 4.19 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAT-POS-3ccb8ef6-1
BEN-DND-34fc7f90-2
0.728
BEN-DND-34fc7f90-7
0.643
BEN-DND-34fc7f90-4
0.602
VLA-UNK-56836b69-4
0.551
ALP-UNI-8d415491-3
0.539
JUL-TUD-06b2044f-46
0.511
PET-UNK-f4e47ebd-6
0.495
BEN-DND-4f474d93-1
0.495
BEN-DND-4f474d93-3
0.495
BEN-DND-f2e727cd-4
0.495
ALP-UNI-c3ef0aba-2
0.495
ALP-POS-ce760d3f-2
0.495
PET-UNK-1e13ef09-5
0.484
PET-UNK-f4e47ebd-14
0.480
PET-UNK-b78139fa-9
0.473
PET-UNK-f4e47ebd-10
0.469
BEN-DND-34fc7f90-6
0.458
PET-UNK-2c6614b6-9
0.458
BEN-DND-a02b439d-7
0.457
BEN-DND-a02b439d-14
0.453
BEN-DND-a02b439d-6
0.453
ALP-UNI-c3ef0aba-1
0.432
BEN-DND-34fc7f90-3
0.430
BEN-DND-a02b439d-15
0.424
BEN-DND-34fc7f90-5
0.424
BEN-DND-34fc7f90-8
0.424
VLA-UNK-82501c2c-1
0.420
MIC-UNK-8758c41d-2
0.404
BEN-DND-a02b439d-2
0.404
ALF-EVA-b701bd13-4
0.402
BEN-DND-a02b439d-1
0.400
BEN-DND-f06bfa8e-6
0.400
ALF-EVA-b701bd13-2
0.394
BEN-DND-a02b439d-10
0.394
ALF-EVA-a24cc7ce-1
0.394
JUL-TUD-06b2044f-47
0.393
FRA-DIA-0fa076fe-2
0.392
MAT-POS-78e1d523-5
0.390
MAT-POS-78e1d523-6
0.390
ALP-UNI-3735e77e-4
0.390
ALP-UNI-8d415491-4
0.390
MAT-POS-f9802937-8
0.390
MAT-POS-f9802937-9
0.390
EDJ-MED-611d11e7-11
0.390
JUL-TUD-06b2044f-51
0.389
BEN-DND-a02b439d-3
0.389
EDJ-MED-1b5395f9-1
0.389
EDJ-MED-1b5395f9-2
0.389
EDJ-MED-1b5395f9-3
0.389
BEN-DND-f06bfa8e-1
0.388
EDJ-MED-1b5395f9-4
0.387
EDJ-MED-1b5395f9-5
0.387
EDJ-MED-1b5395f9-6
0.387
JUL-TUD-06b2044f-45
0.386
MAT-POS-bb423b95-1
0.385
ALF-EVA-82cf4849-6
0.385
ALF-EVA-82cf4849-9
0.384
ALF-EVA-b701bd13-5
0.382
ALF-EVA-82cf4849-7
0.381
RYA-UNI-6d7114fd-1
0.380
ALP-POS-869ac754-1
0.380
RAL-THA-05e671eb-2
0.380
JUL-TUD-06b2044f-41
0.377
FRA-DIA-0fa076fe-1
0.375
FRA-DIA-c7e803f4-1
0.375
BEN-DND-a02b439d-11
0.374
JUL-TUD-06b2044f-44
0.371
ERI-UCB-b3e6b0c2-10
0.369
MAT-POS-f7918075-2
0.364
EDJ-MED-12c115cc-2
0.364
EDJ-MED-12c115cc-1
0.364
MAT-POS-bbbbc21a-2
0.364
MIC-UNK-8758c41d-1
0.363
PET-UNK-f4e47ebd-21
0.361
MIC-UNK-8758c41d-3
0.359
VLA-UNK-56836b69-1
0.359
ALP-POS-fe871b40-16
0.359
BEN-DND-f06bfa8e-4
0.358
UNK-UNK-2ede4078-50
0.357
MAR-UCB-6ab2ec87-4
0.356
PET-UNK-b78139fa-18
0.356
ALF-EVA-b701bd13-1
0.355
PET-UNK-b566c0b0-5
0.355
PET-UNK-f4e47ebd-28
0.354
EDJ-MED-611d11e7-5
0.352
MAT-POS-ec6d90b7-5
0.352
ALP-UNI-8d415491-6
0.352
ALF-EVA-b701bd13-6
0.352
MAT-POS-ec6d90b7-6
0.352
JUL-TUD-06b2044f-84
0.352
ERI-UCB-b3e6b0c2-12
0.352
PET-UNK-9b23ef84-3
0.352
EDJ-MED-611d11e7-8
0.352
MAT-POS-96f51285-6
0.352
ALF-EVA-82cf4849-10
0.352
FRA-DIA-b66f7109-2
0.351
JUL-TUD-06b2044f-50
0.351
BEN-DND-f2e727cd-5
0.350
MAT-POS-3ccb8ef6-2
0.350
MAT-POS-d8472c4f-5
0.350