MMsINC Database Search


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MMsINC code: MMs03031424

Type: Neutral
Formula: C₆H₁₁Cl₂O₄P

SMILES:

ClC(Cl)=COP(OCCC)(OC)=O

InChI:

InChI=1/C6H11Cl2O4P/c1-3-4-11-13(9,10-2)12-5-6(7)8/h5H,3-4H2,1-2H3/t13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=6.37179 kcal/mol

Physical Properties
Molecular Weight: 249.03 g/mol	logS: -2.19778	SlogP: 2.4993	Reactive groups: 0

Topological Properties
Globularity: 0.0846673	Sterimol/B1: 3.4668	Sterimol/B2: 3.63397	Sterimol/B3: 4.06986
Sterimol/B4: 5.08289	Sterimol/L: 14.5198

Surface and Volume Properties
Accessible surface: 449.918	Positive charged surface: 219.929	Negative charged surface: 229.988	Volume: 195.875
Hydrophobic surface: 366.041	Hydrophilic surface: 83.877

Pharmacophoric Properties
Hydrogen bond donors: 0	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.