MMsINC Database Search


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MMsINC code: MMs03081063

Type: Neutral
Formula: C₁₅H₁₀O₄

SMILES:

O1C=C(C(O)=C2C1=CC(=O)C=C2)c1ccc(O)cc1

InChI:

InChI=1/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16,18H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.1649 kcal/mol

Physical Properties
Molecular Weight: 254.241 g/mol	logS: -3.51543	SlogP: 2.5982	Reactive groups: 1

Topological Properties
Globularity: 0.0516268	Sterimol/B1: 2.25123	Sterimol/B2: 3.07422	Sterimol/B3: 4.08261
Sterimol/B4: 4.78638	Sterimol/L: 15.3776

Surface and Volume Properties
Accessible surface: 452.963	Positive charged surface: 230.729	Negative charged surface: 216.545	Volume: 229.75
Hydrophobic surface: 320.232	Hydrophilic surface: 132.731

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	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.