MMsINC Database Search


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MMsINC code: MMs03355359

Type: Neutral
Formula: C₁₁H₁₇O₄P

SMILES:

P(OCC)(OCC)(=O)c1cc(ccc1O)C

InChI:

InChI=1/C11H17O4P/c1-4-14-16(13,15-5-2)11-8-9(3)6-7-10(11)12/h6-8,12H,4-5H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=30.1469 kcal/mol

Physical Properties
Molecular Weight: 244.227 g/mol	logS: -2.20163	SlogP: 1.52182	Reactive groups: 0

Topological Properties
Globularity: 0.175663	Sterimol/B1: 2.41803	Sterimol/B2: 2.43661	Sterimol/B3: 5.47749
Sterimol/B4: 7.54324	Sterimol/L: 12.1273

Surface and Volume Properties
Accessible surface: 480.04	Positive charged surface: 316.728	Negative charged surface: 163.313	Volume: 231.5
Hydrophobic surface: 365.342	Hydrophilic surface: 114.698

Pharmacophoric Properties
Hydrogen bond donors: 1	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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Ions/Tautomers related molecules: no related molecules available.