MMsINC Database Search


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MMsINC code: MMs01397645

Type: Neutral
Formula: C₁₉H₂₀O₄

SMILES:

O(C)c1ccc(OC)cc1\C=C\C(OCc1ccc(cc1)C)=O

InChI:

InChI=1/C19H20O4/c1-14-4-6-15(7-5-14)13-23-19(20)11-8-16-12-17(21-2)9-10-18(16)22-3/h4-12H,13H2,1-3H3/b11-8+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.9675 kcal/mol

Physical Properties
Molecular Weight: 312.365 g/mol	logS: -4.61501	SlogP: 4.03522	Reactive groups: 0

Topological Properties
Globularity: 0.0280809	Sterimol/B1: 3.61492	Sterimol/B2: 3.62324	Sterimol/B3: 4.92101
Sterimol/B4: 6.97064	Sterimol/L: 18.0032

Surface and Volume Properties
Accessible surface: 618.9	Positive charged surface: 408.938	Negative charged surface: 209.961	Volume: 312.875
Hydrophobic surface: 557.681	Hydrophilic surface: 61.219

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.