MMsINC Database Search


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MMsINC code: MMs02876722

Type: Neutral
Formula: C₁₅H₂₃O₅P

SMILES:

P(OCC)(OCC)(=O)C(Cc1ccccc1)C(OCC)=O

InChI:

InChI=1/C15H23O5P/c1-4-18-15(16)14(12-13-10-8-7-9-11-13)21(17,19-5-2)20-6-3/h7-11,14H,4-6,12H2,1-3H3/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=16.1717 kcal/mol

Physical Properties
Molecular Weight: 314.318 g/mol	logS: -2.83055	SlogP: 2.35667	Reactive groups: 0

Topological Properties
Globularity: 0.151589	Sterimol/B1: 3.8682	Sterimol/B2: 4.01705	Sterimol/B3: 4.68026
Sterimol/B4: 5.83375	Sterimol/L: 14.544

Surface and Volume Properties
Accessible surface: 535.474	Positive charged surface: 354.159	Negative charged surface: 181.315	Volume: 304.375
Hydrophobic surface: 416.529	Hydrophilic surface: 118.945

Pharmacophoric Properties
Hydrogen bond donors: 0	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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Ions/Tautomers related molecules: no related molecules available.