MMsINC Database Search


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MMsINC code: MMs00730103

Type: Neutral
Formula: C₁₅H₁₆Cl₂NO₄P

SMILES:

Clc1cc(NC(P(OC)(OC)=O)c2cc(O)ccc2)cc(Cl)c1

InChI:

InChI=1/C15H16Cl2NO4P/c1-21-23(20,22-2)15(10-4-3-5-14(19)6-10)18-13-8-11(16)7-12(17)9-13/h3-9,15,18-19H,1-2H3/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.021 kcal/mol

Physical Properties
Molecular Weight: 376.176 g/mol	logS: -3.95744	SlogP: 4.3209	Reactive groups: 0

Topological Properties
Globularity: 0.224867	Sterimol/B1: 2.14733	Sterimol/B2: 3.26697	Sterimol/B3: 6.00945
Sterimol/B4: 8.08859	Sterimol/L: 13.9778

Surface and Volume Properties
Accessible surface: 597.418	Positive charged surface: 320.716	Negative charged surface: 276.702	Volume: 318.625
Hydrophobic surface: 515.635	Hydrophilic surface: 81.783

Pharmacophoric Properties
Hydrogen bond donors: 2	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.