MMsINC Database Search


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MMsINC code: MMs02663031

Type: Neutral
Formula: C₁₅H₁₂O₄

SMILES:

O(COc1ccccc1C=O)c1ccccc1C=O

InChI:

InChI=1/C15H12O4/c16-9-12-5-1-3-7-14(12)18-11-19-15-8-4-2-6-13(15)10-17/h1-10H,11H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.5704 kcal/mol

Physical Properties
Molecular Weight: 256.257 g/mol	logS: -2.9977	SlogP: 2.7269	Reactive groups: 1

Topological Properties
Globularity: 0.145827	Sterimol/B1: 2.32408	Sterimol/B2: 3.92834	Sterimol/B3: 4.80063
Sterimol/B4: 5.78239	Sterimol/L: 12.7619

Surface and Volume Properties
Accessible surface: 474.966	Positive charged surface: 280.91	Negative charged surface: 194.057	Volume: 241.5
Hydrophobic surface: 333.641	Hydrophilic surface: 141.325

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.