MMsINC Database Search


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MMsINC code: MMs00612222

Type: Neutral
Formula: C₁₅H₁₀O₄

SMILES:

O1c2c(ccc(O)c2O)C(=CC1=O)c1ccccc1

InChI:

InChI=1/C15H10O4/c16-12-7-6-10-11(9-4-2-1-3-5-9)8-13(17)19-15(10)14(12)18/h1-8,16,18H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.3309 kcal/mol

Physical Properties
Molecular Weight: 254.241 g/mol	logS: -3.82459	SlogP: 2.26579	Reactive groups: 0

Topological Properties
Globularity: 0.0821923	Sterimol/B1: 3.32416	Sterimol/B2: 3.39378	Sterimol/B3: 3.67768
Sterimol/B4: 6.70394	Sterimol/L: 12.9343

Surface and Volume Properties
Accessible surface: 453.978	Positive charged surface: 251.727	Negative charged surface: 202.251	Volume: 228.25
Hydrophobic surface: 291.695	Hydrophilic surface: 162.283

Pharmacophoric Properties
Hydrogen bond donors: 2	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.