Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)C(OCCN1CCOCC1=O)c1ccc(Cl)c(Cl)c1 |
MW: | 473.09 |
Fraction sp3: | 0.26 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 80.76 |
cLogP: | 4.1 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2020-12-29 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
Long aliphatic chain
MAT-POS-de59a476-5
0.659
MAT-POS-de59a476-4
0.645
MAT-POS-de59a476-6
0.578
MAT-POS-de59a476-2
0.570
MAT-POS-fce787c2-11
0.510
MAT-POS-de59a476-1
0.490
MAT-POS-1f3f1a6f-1
0.490
MAT-POS-fce787c2-4
0.490
MAT-POS-fce787c2-3
0.490
MAT-POS-1f3f1a6f-4
0.481
CHO-MSK-5891c1ff-6
0.480
MAT-POS-fce787c2-5
0.475
MAT-POS-1f3f1a6f-2
0.470
MAT-POS-fce787c2-8
0.470
MAT-POS-1f3f1a6f-3
0.461
VLA-UNK-9a7dc93f-6
0.456
MAT-POS-fce787c2-10
0.454
PET-UNK-1320d94d-14
0.443
PET-UNK-1320d94d-13
0.443
VLA-UNK-9a7dc93f-5
0.442
PET-UNK-1320d94d-17
0.432
PET-UNK-1320d94d-18
0.432
VLA-UNK-9a7dc93f-7
0.427
MAT-POS-23a8a11a-1
0.424
PET-UNK-1320d94d-15
0.421
PET-UNK-1320d94d-16
0.421
ALP-POS-a9ad2217-1
0.415
PET-UNK-1320d94d-19
0.415
PET-UNK-1320d94d-20
0.415
PET-UNK-1320d94d-12
0.408
PET-UNK-1320d94d-11
0.408
EDJ-MED-ee07cf00-18
0.395
MIC-UNK-5a93dd5f-8
0.395
CHO-MSK-5891c1ff-3
0.394
EDJ-MED-cf4b0d25-3
0.393
MAT-POS-fce787c2-6
0.388
MIC-UNK-5a93dd5f-10
0.387
NAU-LAT-a5c7d7cb-2
0.387
MIC-UNK-6ab519a7-1
0.387
NIR-THE-590dedc7-1
0.387
MAK-UNK-ffc90da7-7
0.386
MAT-POS-e9e99895-6
0.384
PET-UNK-1320d94d-3
0.383
PET-UNK-1320d94d-4
0.383
JOH-UNI-ee5ed7c8-6
0.382
JOH-UNI-3fc3434e-6
0.382
MAT-POS-e9e99895-1
0.381
MAT-POS-fce787c2-7
0.381
RAL-THA-2d450e86-8
0.381
JUL-TUD-06b2044f-54
0.381
MIC-UNK-d36ab305-1
0.381
RAL-THA-2d450e86-36
0.380
MAT-POS-fce787c2-9
0.377
MAT-POS-e9e99895-11
0.377
EDJ-MED-cf4b0d25-4
0.376
EDJ-MED-ee07cf00-16
0.376
BEN-DND-f2e727cd-1
0.375
MIC-UNK-5a93dd5f-9
0.373
MAK-UNK-919546f0-2
0.370
MAK-UNK-f481d203-4
0.370
MAK-UNK-f481d203-3
0.370
EDJ-MED-ee07cf00-14
0.369
NAU-LAT-2fed8305-9
0.369
EDJ-MED-cf4b0d25-1
0.368
RAL-THA-2d450e86-6
0.368
RAL-THA-2d450e86-9
0.368
PET-UNK-1320d94d-23
0.366
PET-UNK-1320d94d-24
0.366
VLA-UNK-b9c208fe-2
0.365
BEN-DND-a02b439d-15
0.365
MIC-UNK-d36ab305-4
0.365
RAL-THA-05e671eb-28
0.365
BEN-DND-34fc7f90-8
0.365
MAT-POS-e9e99895-5
0.365
EDJ-MED-ee07cf00-1
0.365
PET-UNK-ac320b15-2
0.365
PET-UNK-ac320b15-1
0.365
MAT-POS-e9e99895-13
0.364
PET-UNK-ad758083-3
0.363
MAT-POS-e9e99895-10
0.363
PET-UNK-0d6841fa-3
0.362
MIC-UNK-5a93dd5f-1
0.362
MAT-POS-e9e99895-12
0.362
MIC-UNK-5a93dd5f-2
0.362
MIC-UNK-c66144cb-3
0.361
ALP-POS-3b848b35-4
0.361
MIC-UNK-5a93dd5f-4
0.361
MIC-UNK-5a93dd5f-6
0.361
RAL-THA-2d450e86-22
0.361
EDJ-MED-ee07cf00-3
0.361
MIC-UNK-5a93dd5f-7
0.361
RAL-THA-4aa06b95-7
0.361
BEN-DND-a02b439d-3
0.361
PET-UNK-1320d94d-7
0.360
PET-UNK-1320d94d-8
0.360
MIC-UNK-8758c41d-2
0.360
EDJ-MED-ee07cf00-9
0.359
MAT-POS-e9e99895-2
0.359
MIC-UNK-c66144cb-2
0.359
PET-UNK-dd44aeb6-2
0.358