MMsINC Database Search


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MMsINC code: MMs01731883

Type: Neutral
Formula: C₁₀H₁₃O₄P

SMILES:

P1(OCC)(=O)COc2c(OC1)cccc2

InChI:

InChI=1/C10H13O4P/c1-2-14-15(11)7-12-9-5-3-4-6-10(9)13-8-15/h3-6H,2,7-8H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.2527 kcal/mol

Physical Properties
Molecular Weight: 228.184 g/mol	logS: -1.13897	SlogP: 1.6172	Reactive groups: 0

Topological Properties
Globularity: 0.0704869	Sterimol/B1: 2.50096	Sterimol/B2: 4.05805	Sterimol/B3: 4.19029
Sterimol/B4: 4.89142	Sterimol/L: 13.7022

Surface and Volume Properties
Accessible surface: 424.17	Positive charged surface: 279.276	Negative charged surface: 144.894	Volume: 204.75
Hydrophobic surface: 344.208	Hydrophilic surface: 79.962

Pharmacophoric Properties
Hydrogen bond donors: 0	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.