MMsINC Database Search


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MMsINC code: MMs02272290

Type: Neutral
Formula: C₁₈H₂₀O₃

SMILES:

O(C)c1c(OC)cc(cc1OC)\C=C\c1ccc(cc1)C

InChI:

InChI=1/C18H20O3/c1-13-5-7-14(8-6-13)9-10-15-11-16(19-2)18(21-4)17(12-15)20-3/h5-12H,1-4H3/b10-9+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.247 kcal/mol

Physical Properties
Molecular Weight: 284.355 g/mol	logS: -4.88412	SlogP: 4.19122	Reactive groups: 0

Topological Properties
Globularity: 0.0166256	Sterimol/B1: 2.67946	Sterimol/B2: 2.88633	Sterimol/B3: 5.33789
Sterimol/B4: 6.4085	Sterimol/L: 17.3066

Surface and Volume Properties
Accessible surface: 570.96	Positive charged surface: 409.333	Negative charged surface: 161.626	Volume: 294.375
Hydrophobic surface: 551.098	Hydrophilic surface: 19.862

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.