MMsINC Database Search


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MMsINC code: MMs01823363

Type: Neutral
Formula: C₁₄H₂₃O₅P

SMILES:

P(OC(C)C)(OC(C)C)(=O)C(O)c1ccc(OC)cc1

InChI:

InChI=1/C14H23O5P/c1-10(2)18-20(16,19-11(3)4)14(15)12-6-8-13(17-5)9-7-12/h6-11,14-15H,1-5H3/t14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.8481 kcal/mol

Physical Properties
Molecular Weight: 302.307 g/mol	logS: -2.41669	SlogP: 2.7545	Reactive groups: 0

Topological Properties
Globularity: 0.103848	Sterimol/B1: 2.23327	Sterimol/B2: 3.38802	Sterimol/B3: 3.78503
Sterimol/B4: 7.28257	Sterimol/L: 15.5972

Surface and Volume Properties
Accessible surface: 545.618	Positive charged surface: 373.221	Negative charged surface: 172.397	Volume: 291.875
Hydrophobic surface: 400.857	Hydrophilic surface: 144.761

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	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.