MMsINC Database Search


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MMsINC code: MMs00019378

Type: Neutral
Formula: C₁₇H₁₄O₄

SMILES:

O1c2c(cccc2)C(=O)C=C1c1cc(OC)c(OC)cc1

InChI:

InChI=1/C17H14O4/c1-19-15-8-7-11(9-17(15)20-2)16-10-13(18)12-5-3-4-6-14(12)21-16/h3-10H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.7724 kcal/mol

Physical Properties
Molecular Weight: 282.295 g/mol	logS: -4.64925	SlogP: 3.32	Reactive groups: 1

Topological Properties
Globularity: 0.00652778	Sterimol/B1: 2.3754	Sterimol/B2: 2.3755	Sterimol/B3: 3.95177
Sterimol/B4: 6.86365	Sterimol/L: 16.3843

Surface and Volume Properties
Accessible surface: 515.269	Positive charged surface: 336.865	Negative charged surface: 178.403	Volume: 265.375
Hydrophobic surface: 456.401	Hydrophilic surface: 58.868

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.