MMsINC Database Search


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MMsINC code: MMs02432932

Type: Ionized
Formula: C₁₃H₁₁NO₅P-

SMILES:

P(Oc1ccccc1)(O)(=O)Nc1ccc(cc1)C(=O)[O-]

InChI:

InChI=1/C13H12NO5P/c15-13(16)10-6-8-11(9-7-10)14-20(17,18)19-12-4-2-1-3-5-12/h1-9H,(H,15,16)(H2,14,17,18)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-4.62385 kcal/mol

Physical Properties
Molecular Weight: 292.207 g/mol	logS: -2.71928	SlogP: 0.5712	Reactive groups: 0

Topological Properties
Globularity: 0.174387	Sterimol/B1: 2.94547	Sterimol/B2: 2.96241	Sterimol/B3: 4.93613
Sterimol/B4: 6.57649	Sterimol/L: 13.8355

Surface and Volume Properties
Accessible surface: 494.656	Positive charged surface: 219.558	Negative charged surface: 275.098	Volume: 250.25
Hydrophobic surface: 305.039	Hydrophilic surface: 189.617

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	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

search links for this molecule:

Parent related molecule:

MMs02432931
NCID-ZINC05048955