MMsINC Database Search


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MMsINC code: MMs03091176

Type: Neutral
Formula: C₁₅H₁₀O₅

SMILES:

Oc1c(cc2c(c1O)C(=O)c1c(cccc1O)C2=O)C

InChI:

InChI=1/C15H10O5/c1-6-5-8-11(15(20)12(6)17)14(19)10-7(13(8)18)3-2-4-9(10)16/h2-5,16-17,20H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.2336 kcal/mol

Physical Properties
Molecular Weight: 270.24 g/mol	logS: -2.95962	SlogP: 1.88722	Reactive groups: 0

Topological Properties
Globularity: 0.017211	Sterimol/B1: 2.39893	Sterimol/B2: 2.53488	Sterimol/B3: 3.40625
Sterimol/B4: 5.72304	Sterimol/L: 13.4653

Surface and Volume Properties
Accessible surface: 451.882	Positive charged surface: 268.815	Negative charged surface: 183.067	Volume: 234
Hydrophobic surface: 264.953	Hydrophilic surface: 186.929

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 5	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.