MMsINC Database Search


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MMsINC code: MMs01828984

Type: Neutral
Formula: C₂₀H₁₇O₅P

SMILES:

P(Oc1ccccc1C(Oc1ccccc1)=O)(OC)(=O)c1ccccc1

InChI:

InChI=1/C20H17O5P/c1-23-26(22,17-12-6-3-7-13-17)25-19-15-9-8-14-18(19)20(21)24-16-10-4-2-5-11-16/h2-15H,1H3/t26-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.061 kcal/mol

Physical Properties
Molecular Weight: 368.325 g/mol	logS: -5.25138	SlogP: 3.3794	Reactive groups: 0

Topological Properties
Globularity: 0.133084	Sterimol/B1: 2.75506	Sterimol/B2: 5.08141	Sterimol/B3: 5.12271
Sterimol/B4: 8.90543	Sterimol/L: 13.6688

Surface and Volume Properties
Accessible surface: 606.569	Positive charged surface: 347.359	Negative charged surface: 259.21	Volume: 335.375
Hydrophobic surface: 568.782	Hydrophilic surface: 37.787

Pharmacophoric Properties
Hydrogen bond donors: 0	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.