MMsINC Database Search


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MMsINC code: MMs01490126

Type: Neutral
Formula: C₁₆H₁₆O₆

SMILES:

o1c(ccc1COc1ccc(cc1OC)C(=O)C)C(OC)=O

InChI:

InChI=1/C16H16O6/c1-10(17)11-4-6-13(15(8-11)19-2)21-9-12-5-7-14(22-12)16(18)20-3/h4-8H,9H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.1565 kcal/mol

Physical Properties
Molecular Weight: 304.298 g/mol	logS: -3.85203	SlogP: 3.1228	Reactive groups: 0

Topological Properties
Globularity: 0.0775053	Sterimol/B1: 2.23694	Sterimol/B2: 3.79197	Sterimol/B3: 5.29863
Sterimol/B4: 7.53985	Sterimol/L: 17.801

Surface and Volume Properties
Accessible surface: 575.214	Positive charged surface: 381.812	Negative charged surface: 193.402	Volume: 281
Hydrophobic surface: 456.101	Hydrophilic surface: 119.113

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.