MMsINC Database Search


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MMsINC code: MMs02742281

Type: Neutral
Formula: C₁₅H₁₀O₃

SMILES:

O1C=C(c2ccccc2O)C(=O)c2c1cccc2

InChI:

InChI=1/C15H10O3/c16-13-7-3-1-5-10(13)12-9-18-14-8-4-2-6-11(14)15(12)17/h1-9,16H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.631 kcal/mol

Physical Properties
Molecular Weight: 238.242 g/mol	logS: -3.89733	SlogP: 3.0084	Reactive groups: 1

Topological Properties
Globularity: 0.075903	Sterimol/B1: 2.48931	Sterimol/B2: 2.70134	Sterimol/B3: 4.20519
Sterimol/B4: 4.6889	Sterimol/L: 14.3482

Surface and Volume Properties
Accessible surface: 446.354	Positive charged surface: 236.909	Negative charged surface: 209.445	Volume: 223.25
Hydrophobic surface: 375.934	Hydrophilic surface: 70.42

Pharmacophoric Properties
Hydrogen bond donors: 1	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.