MMsINC Database Search


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MMsINC code: MMs02433626

Type: Neutral
Formula: C₁₅H₁₄O₄

SMILES:

Oc1c2c(cc(cc2O)C)c(cc1C(=O)C)C(=O)C

InChI:

InChI=1/C15H14O4/c1-7-4-12-10(8(2)16)6-11(9(3)17)15(19)14(12)13(18)5-7/h4-6,18-19H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.248 kcal/mol

Physical Properties
Molecular Weight: 258.273 g/mol	logS: -3.63732	SlogP: 2.96462	Reactive groups: 0

Topological Properties
Globularity: 0.0219632	Sterimol/B1: 2.50678	Sterimol/B2: 2.6282	Sterimol/B3: 5.13501
Sterimol/B4: 5.8059	Sterimol/L: 13.3253

Surface and Volume Properties
Accessible surface: 461.92	Positive charged surface: 271.953	Negative charged surface: 179.334	Volume: 241.75
Hydrophobic surface: 325.849	Hydrophilic surface: 136.071

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.