MMsINC Database Search


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MMsINC code: MMs00605610

Type: Neutral
Formula: C₁₈H₁₆O₄

SMILES:

O1c2c(ccc(OCc3ccccc3OC)c2)C(=CC1=O)C

InChI:

InChI=1/C18H16O4/c1-12-9-18(19)22-17-10-14(7-8-15(12)17)21-11-13-5-3-4-6-16(13)20-2/h3-10H,11H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.044 kcal/mol

Physical Properties
Molecular Weight: 296.322 g/mol	logS: -4.97006	SlogP: 3.8629	Reactive groups: 0

Topological Properties
Globularity: 0.00689685	Sterimol/B1: 2.37876	Sterimol/B2: 2.38746	Sterimol/B3: 3.1322
Sterimol/B4: 6.8603	Sterimol/L: 16.2435

Surface and Volume Properties
Accessible surface: 546.161	Positive charged surface: 333.219	Negative charged surface: 212.942	Volume: 286.625
Hydrophobic surface: 471.136	Hydrophilic surface: 75.025

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.