MMsINC Database Search


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MMsINC code: MMs03524790

Type: Neutral
Formula: C₁₄H₁₅O₄P

SMILES:

P(Oc1ccccc1C)(Oc1ccccc1C)(O)=O

InChI:

InChI=1/C14H15O4P/c1-11-7-3-5-9-13(11)17-19(15,16)18-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H,15,16)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=29.4238 kcal/mol

Physical Properties
Molecular Weight: 278.244 g/mol	logS: -3.24586	SlogP: 2.79144	Reactive groups: 0

Topological Properties
Globularity: 0.0734627	Sterimol/B1: 2.39809	Sterimol/B2: 2.49952	Sterimol/B3: 4.15461
Sterimol/B4: 6.09818	Sterimol/L: 14.3634

Surface and Volume Properties
Accessible surface: 487.364	Positive charged surface: 262.093	Negative charged surface: 225.271	Volume: 254.625
Hydrophobic surface: 427.399	Hydrophilic surface: 59.965

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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: no related molecules available.