MMsINC Database Search


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MMsINC code: MMs02326237

Type: Neutral
Formula: C₁₅H₂₄O₄

SMILES:

O(C)c1c(cccc1OC)C(OCCC)OCCC

InChI:

InChI=1/C15H24O4/c1-5-10-18-15(19-11-6-2)12-8-7-9-13(16-3)14(12)17-4/h7-9,15H,5-6,10-11H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.926 kcal/mol

Physical Properties
Molecular Weight: 268.353 g/mol	logS: -2.68317	SlogP: 3.6511	Reactive groups: 0

Topological Properties
Globularity: 0.13067	Sterimol/B1: 2.32471	Sterimol/B2: 3.59815	Sterimol/B3: 4.40089
Sterimol/B4: 8.50208	Sterimol/L: 14.5557

Surface and Volume Properties
Accessible surface: 564.477	Positive charged surface: 435.005	Negative charged surface: 129.471	Volume: 283.25
Hydrophobic surface: 500.673	Hydrophilic surface: 63.804

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.