MMsINC Database Search


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MMsINC code: MMs02657010

Type: Neutral
Formula: C₁₅H₁₂O₄

SMILES:

O(Cc1ccccc1)c1cc(C=O)c(O)c(c1)C=O

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.9844 kcal/mol

Physical Properties
Molecular Weight: 256.257 g/mol	logS: -2.85343	SlogP: 2.8626	Reactive groups: 1

Topological Properties
Globularity: 0.0645053	Sterimol/B1: 3.61495	Sterimol/B2: 3.65298	Sterimol/B3: 4.89633
Sterimol/B4: 5.60982	Sterimol/L: 14.7042

Surface and Volume Properties
Accessible surface: 485.076	Positive charged surface: 281.776	Negative charged surface: 203.3	Volume: 239.5
Hydrophobic surface: 315.678	Hydrophilic surface: 169.398

Pharmacophoric Properties
Hydrogen bond donors: 1	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.