MMsINC Database Search


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MMsINC code: MMs02996904

Type: Neutral
Formula: C₁₅H₁₂O₅

SMILES:

O(C(=O)c1ccccc1)c1cc(O)c(C(=O)C)c(O)c1

InChI:

InChI=1/C15H12O5/c1-9(16)14-12(17)7-11(8-13(14)18)20-15(19)10-5-3-2-4-6-10/h2-8,17-18H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.5028 kcal/mol

Physical Properties
Molecular Weight: 272.256 g/mol	logS: -3.08731	SlogP: 2.5196	Reactive groups: 0

Topological Properties
Globularity: 0.0456329	Sterimol/B1: 2.81565	Sterimol/B2: 3.3374	Sterimol/B3: 3.56878
Sterimol/B4: 4.8944	Sterimol/L: 16.5051

Surface and Volume Properties
Accessible surface: 496.782	Positive charged surface: 280.639	Negative charged surface: 216.143	Volume: 246.625
Hydrophobic surface: 354.408	Hydrophilic surface: 142.374

Pharmacophoric Properties
Hydrogen bond donors: 2	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.