MMsINC Database Search


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MMsINC code: MMs02213457

Type: Neutral
Formula: C₁₅H₁₀O₃

SMILES:

O1C(=C(OC1=O)c1ccccc1)c1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.6532 kcal/mol

Physical Properties
Molecular Weight: 238.242 g/mol	logS: -5.03751	SlogP: 3.6792	Reactive groups: 0

Topological Properties
Globularity: 0.137058	Sterimol/B1: 2.36205	Sterimol/B2: 2.87041	Sterimol/B3: 3.71223
Sterimol/B4: 8.46453	Sterimol/L: 11.8498

Surface and Volume Properties
Accessible surface: 441.211	Positive charged surface: 232.479	Negative charged surface: 208.732	Volume: 226
Hydrophobic surface: 348.299	Hydrophilic surface: 92.912

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.