MMsINC Database Search


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MMsINC code: MMs03231891

Type: Neutral
Formula: C₁₈H₂₈O₃

SMILES:

O(CCOC(=O)C)c1ccc(cc1C(C)(C)C)C(C)(C)C

InChI:

InChI=1/C18H28O3/c1-13(19)20-10-11-21-16-9-8-14(17(2,3)4)12-15(16)18(5,6)7/h8-9,12H,10-11H2,1-7H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.0083 kcal/mol

Physical Properties
Molecular Weight: 292.419 g/mol	logS: -5.5765	SlogP: 4.2235	Reactive groups: 0

Topological Properties
Globularity: 0.100513	Sterimol/B1: 2.45797	Sterimol/B2: 4.03952	Sterimol/B3: 5.37371
Sterimol/B4: 5.67787	Sterimol/L: 16.059

Surface and Volume Properties
Accessible surface: 572.104	Positive charged surface: 389.701	Negative charged surface: 182.403	Volume: 318.25
Hydrophobic surface: 429.597	Hydrophilic surface: 142.507

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.