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MMsINC code: MMs02218816

Type: Ionized
Formula: C₇H₁₄Cl₂N₂O₄P-

SMILES:

ClCCN(P(OCCC(=O)[O-])(=O)N)CCCl

InChI:

InChI=1/C7H15Cl2N2O4P/c8-2-4-11(5-3-9)16(10,14)15-6-1-7(12)13/h1-6H2,(H2,10,14)(H,12,13)/p-1/t16-/m1/s1


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-50.3597 kcal/mol

Physical Properties
Molecular Weight: 292.079 g/mol	logS: -0.88438	SlogP: -1.0808	Reactive groups: 1

Topological Properties
Globularity: 0.105893	Sterimol/B1: 3.23071	Sterimol/B2: 3.46437	Sterimol/B3: 4.39204
Sterimol/B4: 5.28086	Sterimol/L: 14.956

Surface and Volume Properties
Accessible surface: 483.028	Positive charged surface: 225.285	Negative charged surface: 257.743	Volume: 232.75
Hydrophobic surface: 163.447	Hydrophilic surface: 319.581

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 2	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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Parent related molecule:

MMs02218815
NCID-ZINC01530872