MMsINC Database Search


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MMsINC code: MMs02659208

Type: Neutral
Formula: C₁₈H₁₈O₄

SMILES:

O(C)c1c2c(c(OC)c3c1cccc3)c(OC)ccc2OC

InChI:

InChI=1/C18H18O4/c1-19-13-9-10-14(20-2)16-15(13)17(21-3)11-7-5-6-8-12(11)18(16)22-4/h5-10H,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=132.364 kcal/mol

Physical Properties
Molecular Weight: 298.338 g/mol	logS: -5.34216	SlogP: 4.0274	Reactive groups: 0

Topological Properties
Globularity: 0.0518487	Sterimol/B1: 2.31526	Sterimol/B2: 2.79941	Sterimol/B3: 3.40647
Sterimol/B4: 9.46411	Sterimol/L: 12.0708

Surface and Volume Properties
Accessible surface: 519.831	Positive charged surface: 394.417	Negative charged surface: 104.609	Volume: 291.125
Hydrophobic surface: 503.824	Hydrophilic surface: 16.007

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.