MMsINC Database Search


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MMsINC code: MMs01972420

Type: Neutral
Formula: C₁₅H₁₀O₃

SMILES:

O1c2cc(O)ccc2C=C(c2ccccc2)C1=O

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.2836 kcal/mol

Physical Properties
Molecular Weight: 238.242 g/mol	logS: -4.18654	SlogP: 2.8518	Reactive groups: 0

Topological Properties
Globularity: 0.0482329	Sterimol/B1: 2.88452	Sterimol/B2: 3.27218	Sterimol/B3: 3.65043
Sterimol/B4: 4.19894	Sterimol/L: 14.8487

Surface and Volume Properties
Accessible surface: 448.877	Positive charged surface: 238.465	Negative charged surface: 210.412	Volume: 223.25
Hydrophobic surface: 340.876	Hydrophilic surface: 108.001

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.