Type: Neutral
Formula: C16H26N2O4
SMILES: |
OC(C(N)Cc1ccccc1)C(O)NC(CC(C)C)C(O)=O |
InChI: |
InChI=1/C16H26N2O4/c1-10(2)8-13(16(21)22)18-15(20)14(19)12(17)9-11-6-4-3-5-7-11/h3-7,10,12-15,18-20H,8-9,17H2,1-2H3,(H,21,22)/t12-,13+,14+,15+/m1/s1 |
MOE's Descriptors
Physical Properties | | | |
Molecular Weight: 310.394 g/mol | logS: -1.90912 | SlogP: 0.32457 | Reactive groups: 0 |
| | | |
Topological Properties | | | |
Globularity: 0.0825438 | Sterimol/B1: 2.47019 | Sterimol/B2: 2.55084 | Sterimol/B3: 4.56014 |
Sterimol/B4: 6.97558 | Sterimol/L: 16.6335 | | | |
| | | |
Surface and Volume Properties | | | |
Accessible surface: 568.542 | Positive charged surface: 373.877 | Negative charged surface: 194.665 | Volume: 312.25 |
Hydrophobic surface: 357.118 | Hydrophilic surface: 211.424 | | |
| | | |
Pharmacophoric Properties | | | |
Hydrogen bond donors: 6 | Hydrogen bond acceptors: 6 | Acid groups: 0 | Basic groups: 0 |
Chiral centers: 4 | | | |
| | | |
Drug- and Lead-like Properties | | | |
Lipinski's drug-like rule: 1 | Violations of Lipinski's rule: 0 | Oprea's lead like rule: 1 | |
|
search links for this molecule: |
|
|
|
|
Ions/Tautomers related molecules: no related molecules available. | | | |