MMsINC Database Search


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MMsINC code: MMs02312113

Type: Neutral
Formula: C₁₄H₂₀O₄

SMILES:

O1CC(COC1c1cc(OC)c(OC)cc1)(C)C

InChI:

InChI=1/C14H20O4/c1-14(2)8-17-13(18-9-14)10-5-6-11(15-3)12(7-10)16-4/h5-7,13H,8-9H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.1167 kcal/mol

Physical Properties
Molecular Weight: 252.31 g/mol	logS: -2.37936	SlogP: 2.8709	Reactive groups: 0

Topological Properties
Globularity: 0.0648212	Sterimol/B1: 3.3195	Sterimol/B2: 3.86464	Sterimol/B3: 4.12883
Sterimol/B4: 5.37071	Sterimol/L: 14.6682

Surface and Volume Properties
Accessible surface: 494.312	Positive charged surface: 393.849	Negative charged surface: 100.463	Volume: 251.5
Hydrophobic surface: 430.611	Hydrophilic surface: 63.701

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.