MMsINC Database Search


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MMsINC code: MMs00830191

Type: Neutral
Formula: C₁₅H₁₀O₃

SMILES:

O1c2c(cccc2)C(=O)C=C1c1ccc(O)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.2008 kcal/mol

Physical Properties
Molecular Weight: 238.242 g/mol	logS: -4.18654	SlogP: 3.0084	Reactive groups: 1

Topological Properties
Globularity: 0.00196816	Sterimol/B1: 2.097	Sterimol/B2: 2.24843	Sterimol/B3: 3.92353
Sterimol/B4: 5.00323	Sterimol/L: 14.794

Surface and Volume Properties
Accessible surface: 447.446	Positive charged surface: 231.984	Negative charged surface: 215.462	Volume: 223.125
Hydrophobic surface: 353.033	Hydrophilic surface: 94.413

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.