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MMsINC code: MMs02642433

Type: Neutral
Formula: C₁₄H₁₉ClO₅

SMILES:

ClC1(C(OC)=O)C(=O)C(C(=O)CCC)C(=O)CC1(C)C

InChI:

InChI=1/C14H19ClO5/c1-5-6-8(16)10-9(17)7-13(2,3)14(15,11(10)18)12(19)20-4/h10H,5-7H2,1-4H3/t10-,14+/m0/s1


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.599 kcal/mol

Physical Properties
Molecular Weight: 302.754 g/mol	logS: -2.87494	SlogP: 2.1104	Reactive groups: 1

Topological Properties
Globularity: 0.14438	Sterimol/B1: 3.58546	Sterimol/B2: 3.98271	Sterimol/B3: 5.17775
Sterimol/B4: 5.92157	Sterimol/L: 12.439

Surface and Volume Properties
Accessible surface: 490.631	Positive charged surface: 312.332	Negative charged surface: 178.299	Volume: 271.125
Hydrophobic surface: 316.202	Hydrophilic surface: 174.429

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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

MMs02642434
PUBCHEM-ZINC00226628