MMsINC Database Search


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MMsINC code: MMs01228061

Type: Neutral
Formula: C₁₉H₁₆O₄

SMILES:

o1c(ccc1COc1ccc(cc1)-c1ccccc1)C(OC)=O

InChI:

InChI=1/C19H16O4/c1-21-19(20)18-12-11-17(23-18)13-22-16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-12H,13H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.9017 kcal/mol

Physical Properties
Molecular Weight: 308.333 g/mol	logS: -5.91576	SlogP: 4.5786	Reactive groups: 0

Topological Properties
Globularity: 0.0482399	Sterimol/B1: 2.2458	Sterimol/B2: 2.2556	Sterimol/B3: 4.81014
Sterimol/B4: 5.88853	Sterimol/L: 19.8758

Surface and Volume Properties
Accessible surface: 581.232	Positive charged surface: 331.637	Negative charged surface: 239.895	Volume: 298.625
Hydrophobic surface: 511.979	Hydrophilic surface: 69.253

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.