MMsINC Database Search


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MMsINC code: MMs03914878

Type: Neutral
Formula: C₁₀H₁₄O₄

SMILES:

O=C1CCCCC1C(=O)CCC(O)=O

InChI:

InChI=1/C10H14O4/c11-8-4-2-1-3-7(8)9(12)5-6-10(13)14/h7H,1-6H2,(H,13,14)/t7-/m1/s1


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=1.07052 kcal/mol

Physical Properties
Molecular Weight: 198.218 g/mol	logS: -0.71892	SlogP: 1.1796	Reactive groups: 1

Topological Properties
Globularity: 0.0711999	Sterimol/B1: 2.54842	Sterimol/B2: 2.74979	Sterimol/B3: 3.49587
Sterimol/B4: 4.75009	Sterimol/L: 13.741

Surface and Volume Properties
Accessible surface: 405.025	Positive charged surface: 270.278	Negative charged surface: 134.747	Volume: 186.75
Hydrophobic surface: 247.038	Hydrophilic surface: 157.987

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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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