MMsINC Database Search


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MMsINC code: MMs02865343

Type: Neutral
Formula: C₁₂H₉F₂O₅P

SMILES:

P(O)(O)(=O)C(F)(F)c1cc2c(cc(cc2)C(O)=O)cc1

InChI:

InChI=1/C12H9F2O5P/c13-12(14,20(17,18)19)10-4-3-7-5-9(11(15)16)2-1-8(7)6-10/h1-6H,(H,15,16)(H2,17,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.7501 kcal/mol

Physical Properties
Molecular Weight: 302.169 g/mol	logS: -3.2955	SlogP: 2.0063	Reactive groups: 0

Topological Properties
Globularity: 0.0752199	Sterimol/B1: 2.51593	Sterimol/B2: 2.92173	Sterimol/B3: 3.98372
Sterimol/B4: 5.91763	Sterimol/L: 15.0454

Surface and Volume Properties
Accessible surface: 452.115	Positive charged surface: 193.025	Negative charged surface: 251.526	Volume: 229.875
Hydrophobic surface: 176.879	Hydrophilic surface: 275.236

Pharmacophoric Properties
Hydrogen bond donors: 5	Hydrogen bond acceptors: 5	Acid groups: 0	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

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Ions/Tautomers related molecules

MMs02865344
PUBCHEM-ZINC02047327