MMsINC Database Search


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MMsINC code: MMs02690620

Type: Neutral
Formula: C₁₈H₁₈O₅

SMILES:

O(C)c1ccc(cc1)C(=O)COC(=O)Cc1ccc(OC)cc1

InChI:

InChI=1/C18H18O5/c1-21-15-7-3-13(4-8-15)11-18(20)23-12-17(19)14-5-9-16(22-2)10-6-14/h3-10H,11-12H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.687 kcal/mol

Physical Properties
Molecular Weight: 314.337 g/mol	logS: -4.02809	SlogP: 2.67237	Reactive groups: 1

Topological Properties
Globularity: 0.0307335	Sterimol/B1: 2.31442	Sterimol/B2: 2.9274	Sterimol/B3: 4.57075
Sterimol/B4: 6.50571	Sterimol/L: 19.8402

Surface and Volume Properties
Accessible surface: 599.327	Positive charged surface: 405.752	Negative charged surface: 193.575	Volume: 301.875
Hydrophobic surface: 505.756	Hydrophilic surface: 93.571

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.