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MMsINC code: MMs02263100

Type: Ionized
Formula: C₁₄H₁₀NO₆P-2

SMILES:

P(Oc1ccc(cc1)C(=O)[O-])(Oc1ccc(cc1)C(=O)[O-])N

InChI:

InChI=1/C14H12NO6P/c15-22(20-11-5-1-9(2-6-11)13(16)17)21-12-7-3-10(4-8-12)14(18)19/h1-8H,15H2,(H,16,17)(H,18,19)/p-2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.0898 kcal/mol

Physical Properties
Molecular Weight: 319.209 g/mol	logS: -3.71064	SlogP: 0.057	Reactive groups: 1

Topological Properties
Globularity: 0.0260979	Sterimol/B1: 2.47213	Sterimol/B2: 2.73823	Sterimol/B3: 3.36123
Sterimol/B4: 4.99426	Sterimol/L: 18.344

Surface and Volume Properties
Accessible surface: 535.596	Positive charged surface: 246.574	Negative charged surface: 289.021	Volume: 269.375
Hydrophobic surface: 293.721	Hydrophilic surface: 241.875

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 4	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

search links for this molecule:

Parent related molecule:

MMs02263099
NCID-ZINC01612864