MMsINC Database Search


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MMsINC code: MMs02864693

Type: Neutral
Formula: C₁₀H₁₅O₅P

SMILES:

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

InChI:

InChI=1/C10H15O5P/c1-13-9-6-4-8(5-7-9)10(11)16(12,14-2)15-3/h4-7,10-11H,1-3H3/t10-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.868 kcal/mol

Physical Properties
Molecular Weight: 246.199 g/mol	logS: -1.10785	SlogP: 1.1973	Reactive groups: 0

Topological Properties
Globularity: 0.131098	Sterimol/B1: 2.44774	Sterimol/B2: 3.91406	Sterimol/B3: 4.34766
Sterimol/B4: 5.13747	Sterimol/L: 14.5422

Surface and Volume Properties
Accessible surface: 454.113	Positive charged surface: 336.509	Negative charged surface: 117.604	Volume: 220.375
Hydrophobic surface: 372.22	Hydrophilic surface: 81.893

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.