MMsINC Database Search


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MMsINC code: MMs00046818

Type: Neutral
Formula: C₁₅H₁₀O₃

SMILES:

O1c2c(ccc(O)c2)C(=CC1=O)c1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.3014 kcal/mol

Physical Properties
Molecular Weight: 238.242 g/mol	logS: -4.18654	SlogP: 2.56019	Reactive groups: 0

Topological Properties
Globularity: 0.0879952	Sterimol/B1: 3.31713	Sterimol/B2: 3.45441	Sterimol/B3: 3.48602
Sterimol/B4: 6.85919	Sterimol/L: 12.7932

Surface and Volume Properties
Accessible surface: 440.496	Positive charged surface: 234.178	Negative charged surface: 206.318	Volume: 220.875
Hydrophobic surface: 321.228	Hydrophilic surface: 119.268

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.