MMsINC Database Search


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MMsINC code: MMs02403081

Type: Neutral
Formula: C₁₆H₂₈O₄

SMILES:

OC(=O)CCCCCCCCCCCC(=O)CC(=O)C

InChI:

InChI=1/C16H28O4/c1-14(17)13-15(18)11-9-7-5-3-2-4-6-8-10-12-16(19)20/h2-13H2,1H3,(H,19,20)


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=15.2475 kcal/mol

Physical Properties
Molecular Weight: 284.396 g/mol	logS: -3.91228	SlogP: 3.9103	Reactive groups: 1

Topological Properties
Globularity: 0.0117448	Sterimol/B1: 2.37519	Sterimol/B2: 2.37556	Sterimol/B3: 2.99864
Sterimol/B4: 3.3009	Sterimol/L: 24.087

Surface and Volume Properties
Accessible surface: 624.929	Positive charged surface: 463.934	Negative charged surface: 160.995	Volume: 305.875
Hydrophobic surface: 461.821	Hydrophilic surface: 163.108

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

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