MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs02332154

Type: Neutral
Formula: C₁₄H₂₀O₄

SMILES:

O(C)c1c(C)c(C)c(OC)cc1CCCC(O)=O

InChI:

InChI=1/C14H20O4/c1-9-10(2)14(18-4)11(8-12(9)17-3)6-5-7-13(15)16/h8H,5-7H2,1-4H3,(H,15,16)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.5141 kcal/mol

Physical Properties
Molecular Weight: 252.31 g/mol	logS: -1.92114	SlogP: 2.72791	Reactive groups: 0

Topological Properties
Globularity: 0.118937	Sterimol/B1: 3.04657	Sterimol/B2: 4.40044	Sterimol/B3: 5.62202
Sterimol/B4: 5.80499	Sterimol/L: 13.9878

Surface and Volume Properties
Accessible surface: 502.11	Positive charged surface: 377.106	Negative charged surface: 125.004	Volume: 255.75
Hydrophobic surface: 394.457	Hydrophilic surface: 107.653

Pharmacophoric Properties
Hydrogen bond donors: 2	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

search links for this molecule:

Ions/Tautomers related molecules

MMs02332155
NCID-ZINC01702981