Molecular Properties | |
SMILES: | O=C(COC(C(=O)Nc1cncc2ccccc12)c1ccc(Cl)c(Cl)c1)NC1CC1 |
MW: | 443.08 |
Fraction sp3: | 0.23 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 80.32 |
cLogP: | 4.52 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2020-12-29 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
Long aliphatic chain
MAT-POS-de59a476-5
0.690
MAT-POS-de59a476-4
0.674
MAT-POS-de59a476-2
0.651
MAT-POS-de59a476-3
0.578
MAT-POS-1f3f1a6f-4
0.559
MAT-POS-fce787c2-3
0.558
MAT-POS-fce787c2-11
0.545
MAT-POS-1f3f1a6f-1
0.540
MAT-POS-fce787c2-4
0.540
MAT-POS-de59a476-1
0.540
MAT-POS-fce787c2-5
0.522
MAT-POS-fce787c2-8
0.516
MAT-POS-1f3f1a6f-2
0.516
VLA-UNK-9a7dc93f-6
0.516
VLA-UNK-9a7dc93f-5
0.516
MAT-POS-1f3f1a6f-3
0.505
MAT-POS-fce787c2-10
0.495
VLA-UNK-9a7dc93f-7
0.484
MAT-POS-23a8a11a-1
0.467
PET-UNK-1320d94d-11
0.455
PET-UNK-1320d94d-12
0.455
CHO-MSK-5891c1ff-8
0.443
PET-UNK-1320d94d-15
0.442
PET-UNK-1320d94d-16
0.442
PET-UNK-1320d94d-18
0.441
PET-UNK-1320d94d-17
0.441
ALP-POS-a9ad2217-1
0.435
PET-UNK-1320d94d-20
0.435
PET-UNK-1320d94d-19
0.435
RAL-THA-2d450e86-36
0.433
MIC-UNK-5a93dd5f-4
0.430
PET-UNK-1320d94d-14
0.427
PET-UNK-1320d94d-13
0.427
EDJ-MED-cf4b0d25-3
0.426
ALP-POS-d7944b10-8
0.426
MAT-POS-fce787c2-6
0.426
EDJ-MED-cf4b0d25-4
0.424
MAT-POS-e9e99895-11
0.423
MAK-UNK-f481d203-3
0.422
MAK-UNK-919546f0-2
0.422
MAK-UNK-f481d203-4
0.422
EDJ-MED-036ae2e9-6
0.420
MAK-UNK-ffc90da7-7
0.419
RAL-THA-2d450e86-9
0.417
MAT-POS-5cd9ea36-13
0.416
JOH-UNI-3fc3434e-6
0.416
JOH-UNI-ee5ed7c8-6
0.416
MIC-UNK-5a93dd5f-8
0.415
MAT-POS-afd4d4fd-3
0.415
EDJ-MED-ee07cf00-18
0.414
JUL-TUD-06b2044f-54
0.413
MIC-UNK-d36ab305-1
0.413
ALP-POS-f13221e1-2
0.412
EDJ-MED-cf4b0d25-5
0.411
EDJ-MED-cf4b0d25-1
0.409
MIC-UNK-cdc2493e-9
0.407
PET-UNK-dd44aeb6-2
0.406
RAL-THA-2d450e86-24
0.406
MIC-UNK-5a93dd5f-2
0.406
MIC-UNK-5a93dd5f-1
0.406
MIC-UNK-5a93dd5f-5
0.405
MAK-UNK-ffc90da7-2
0.404
MAK-UNK-c749d764-12
0.404
MAK-UNK-c749d764-8
0.404
MIC-UNK-5a93dd5f-6
0.404
ALP-POS-3b848b35-4
0.404
MIC-UNK-5a93dd5f-9
0.404
MIC-UNK-c66144cb-3
0.404
EDJ-MED-ee07cf00-12
0.404
MAT-POS-e9e99895-1
0.402
MAT-POS-fce787c2-7
0.402
MIC-UNK-5a93dd5f-7
0.402
EDJ-MED-50011917-2
0.400
VLA-UNK-b9c208fe-2
0.400
MAK-UNK-c749d764-26
0.400
EDJ-MED-ee07cf00-4
0.400
EDJ-MED-43f8f7d6-4
0.400
RAL-THA-2d450e86-34
0.400
MAT-POS-281d2ee9-1
0.398
MAK-UNK-c749d764-32
0.398
MAT-POS-fce787c2-9
0.398
MAT-POS-fce787c2-2
0.398
RAL-THA-2d450e86-30
0.398
EDJ-MED-ee07cf00-10
0.397
MIC-UNK-5a93dd5f-11
0.396
MIC-UNK-d36ab305-4
0.396
NAU-LAT-2fed8305-5
0.396
MAT-POS-e9e99895-10
0.394
MIC-UNK-5a93dd5f-10
0.394
NAU-LAT-a5c7d7cb-2
0.394
MIC-UNK-6ab519a7-1
0.394
NIR-THE-590dedc7-1
0.394
RAL-THA-2d450e86-22
0.394
MAT-POS-d8472c4f-2
0.393
EDJ-MED-ee07cf00-16
0.393
LON-WEI-af038623-3
0.393
DAR-DIA-0587064e-7
0.393
MAT-POS-e9e99895-12
0.393
ALP-POS-df536be7-5
0.392
RAL-THA-2d450e86-20
0.392