MMsINC Database Search


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MMsINC code: MMs01078718

Type: Neutral
Formula: C₁₈H₂₀O₄

SMILES:

O(C)c1cc2Cc3cc(OC)c(OC)cc3Cc2cc1OC

InChI:

InChI=1/C18H20O4/c1-19-15-7-11-5-13-9-17(21-3)18(22-4)10-14(13)6-12(11)8-16(15)20-2/h7-10H,5-6H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.822 kcal/mol

Physical Properties
Molecular Weight: 300.354 g/mol	logS: -4.17366	SlogP: 3.21594	Reactive groups: 0

Topological Properties
Globularity: 0.0327606	Sterimol/B1: 1.969	Sterimol/B2: 2.22535	Sterimol/B3: 3.66057
Sterimol/B4: 7.58316	Sterimol/L: 14.2271

Surface and Volume Properties
Accessible surface: 560.734	Positive charged surface: 470.028	Negative charged surface: 90.7064	Volume: 295.625
Hydrophobic surface: 524.649	Hydrophilic surface: 36.085

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.