MMsINC Database Search


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MMsINC code: MMs02091605

Type: Neutral
Formula: C₁₈H₁₄O₆

SMILES:

O1C=C(C(=O)c2cc(OC)c(O)cc12)c1ccc(OC(=O)C)cc1

InChI:

InChI=1/C18H14O6/c1-10(19)24-12-5-3-11(4-6-12)14-9-23-16-8-15(20)17(22-2)7-13(16)18(14)21/h3-9,20H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.105 kcal/mol

Physical Properties
Molecular Weight: 326.304 g/mol	logS: -4.30123	SlogP: 2.9423	Reactive groups: 1

Topological Properties
Globularity: 0.0217268	Sterimol/B1: 2.79186	Sterimol/B2: 3.2257	Sterimol/B3: 4.0204
Sterimol/B4: 5.00478	Sterimol/L: 17.7945

Surface and Volume Properties
Accessible surface: 563.406	Positive charged surface: 340.744	Negative charged surface: 222.662	Volume: 295.25
Hydrophobic surface: 433.196	Hydrophilic surface: 130.21

Pharmacophoric Properties
Hydrogen bond donors: 1	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.