MMsINC Database Search


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MMsINC code: MMs03524271

Type: Neutral
Formula: C₁₅H₁₀O₄

SMILES:

Oc1c2c(ccc1C)C(=O)c1c(ccc(O)c1)C2=O

InChI:

InChI=1/C15H10O4/c1-7-2-4-10-12(13(7)17)15(19)9-5-3-8(16)6-11(9)14(10)18/h2-6,16-17H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.3796 kcal/mol

Physical Properties
Molecular Weight: 254.241 g/mol	logS: -3.32157	SlogP: 2.18162	Reactive groups: 0

Topological Properties
Globularity: 0.00884712	Sterimol/B1: 2.06557	Sterimol/B2: 2.5004	Sterimol/B3: 3.80154
Sterimol/B4: 4.92569	Sterimol/L: 14.0885

Surface and Volume Properties
Accessible surface: 443.723	Positive charged surface: 252.266	Negative charged surface: 191.457	Volume: 226.125
Hydrophobic surface: 289.672	Hydrophilic surface: 154.051

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.