MMsINC Database Search


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MMsINC code: MMs02342895

Type: Ionized
Formula: C₁₄H₁₂O₄P-

SMILES:

P(O)(=O)(C(C(=O)[O-])c1ccccc1)c1ccccc1

InChI:

InChI=1/C14H13O4P/c15-14(16)13(11-7-3-1-4-8-11)19(17,18)12-9-5-2-6-10-12/h1-10,13H,(H,15,16)(H,17,18)/p-1/t13-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=20.3875 kcal/mol

Physical Properties
Molecular Weight: 275.22 g/mol	logS: -2.85969	SlogP: 0.0988	Reactive groups: 0

Topological Properties
Globularity: 0.0869148	Sterimol/B1: 3.48005	Sterimol/B2: 3.73925	Sterimol/B3: 4.04953
Sterimol/B4: 4.80066	Sterimol/L: 14.8218

Surface and Volume Properties
Accessible surface: 474.25	Positive charged surface: 223.005	Negative charged surface: 251.245	Volume: 246.5
Hydrophobic surface: 350.049	Hydrophilic surface: 124.201

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 2	Basic groups: 0
Chiral centers: 2

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:

MMs02342894
NCID-ZINC01717466