MMsINC Database Search


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MMsINC code: MMs02306500

Type: Neutral
Formula: C₁₆H₂₄O₄

SMILES:

O(C(=O)c1ccc(cc1)C)CCOCCOCCCC

InChI:

InChI=1/C16H24O4/c1-3-4-9-18-10-11-19-12-13-20-16(17)15-7-5-14(2)6-8-15/h5-8H,3-4,9-13H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.2155 kcal/mol

Physical Properties
Molecular Weight: 280.364 g/mol	logS: -3.57001	SlogP: 2.98512	Reactive groups: 0

Topological Properties
Globularity: 0.0928232	Sterimol/B1: 2.47119	Sterimol/B2: 3.04897	Sterimol/B3: 5.19979
Sterimol/B4: 7.91896	Sterimol/L: 17.7093

Surface and Volume Properties
Accessible surface: 622.557	Positive charged surface: 463.651	Negative charged surface: 158.906	Volume: 296
Hydrophobic surface: 554.943	Hydrophilic surface: 67.614

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.