MMsINC Database Search


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MMsINC code: MMs03340489

Type: Neutral
Formula: C₁₄H₂₃O₅P

SMILES:

P(OCC)(OCC)(=O)c1c(CC)c(O)c(cc1O)CC

InChI:

InChI=1/C14H23O5P/c1-5-10-9-12(15)14(11(6-2)13(10)16)20(17,18-7-3)19-8-4/h9,15-16H,5-8H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=44.4002 kcal/mol

Physical Properties
Molecular Weight: 302.307 g/mol	logS: -2.71714	SlogP: 2.04374	Reactive groups: 0

Topological Properties
Globularity: 0.0844771	Sterimol/B1: 2.04753	Sterimol/B2: 4.93283	Sterimol/B3: 5.28167
Sterimol/B4: 5.5451	Sterimol/L: 13.9425

Surface and Volume Properties
Accessible surface: 532.21	Positive charged surface: 357.159	Negative charged surface: 175.051	Volume: 289.5
Hydrophobic surface: 356.034	Hydrophilic surface: 176.176

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 5	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.