MMsINC Database Search


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MMsINC code: MMs02376458

Type: Neutral
Formula: C₁₅H₁₂O₅

SMILES:

O(C(Oc1ccccc1)=O)c1c(cccc1OC)C=O

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.8909 kcal/mol

Physical Properties
Molecular Weight: 272.256 g/mol	logS: -3.59668	SlogP: 3.0855	Reactive groups: 1

Topological Properties
Globularity: 0.0575014	Sterimol/B1: 2.39456	Sterimol/B2: 3.08185	Sterimol/B3: 3.09351
Sterimol/B4: 8.82763	Sterimol/L: 13.993

Surface and Volume Properties
Accessible surface: 502.375	Positive charged surface: 294.304	Negative charged surface: 208.071	Volume: 249.25
Hydrophobic surface: 399.245	Hydrophilic surface: 103.13

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.