MMsINC Database Search


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MMsINC code: MMs01749220

Type: Neutral
Formula: C₁₀H₁₄ClO₄P

SMILES:

ClCP(OCC)(=O)COc1ccccc1O

InChI:

InChI=1/C10H14ClO4P/c1-2-15-16(13,7-11)8-14-10-6-4-3-5-9(10)12/h3-6,12H,2,7-8H2,1H3/t16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.2612 kcal/mol

Physical Properties
Molecular Weight: 264.645 g/mol	logS: -1.34308	SlogP: 2.1692	Reactive groups: 1

Topological Properties
Globularity: 0.0894024	Sterimol/B1: 3.40373	Sterimol/B2: 3.50864	Sterimol/B3: 3.52151
Sterimol/B4: 6.23112	Sterimol/L: 13.7368

Surface and Volume Properties
Accessible surface: 460.578	Positive charged surface: 275.778	Negative charged surface: 184.8	Volume: 228.5
Hydrophobic surface: 307.506	Hydrophilic surface: 153.072

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.