MMsINC Database Search


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MMsINC code: MMs02498155

Type: Neutral
Formula: C₁₈H₂₀O₄

SMILES:

O(C)c1c(OC)cc(cc1OC)\C=C/c1cc(OC)ccc1

InChI:

InChI=1/C18H20O4/c1-19-15-7-5-6-13(10-15)8-9-14-11-16(20-2)18(22-4)17(12-14)21-3/h5-12H,1-4H3/b9-8-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=129.795 kcal/mol

Physical Properties
Molecular Weight: 300.354 g/mol	logS: -4.46058	SlogP: 3.8914	Reactive groups: 0

Topological Properties
Globularity: 0.116356	Sterimol/B1: 3.53719	Sterimol/B2: 4.19873	Sterimol/B3: 4.60991
Sterimol/B4: 5.70422	Sterimol/L: 15.3643

Surface and Volume Properties
Accessible surface: 541.29	Positive charged surface: 431.778	Negative charged surface: 109.512	Volume: 297.25
Hydrophobic surface: 510.331	Hydrophilic surface: 30.959

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.