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MMsINC code: MMs02878134

Type: Neutral
Formula: C₁₁H₁₇O₄P

SMILES:

P(Oc1ccc(cc1)C(CC)(C)C)(O)(O)=O

InChI:

InChI=1/C11H17O4P/c1-4-11(2,3)9-5-7-10(8-6-9)15-16(12,13)14/h5-8H,4H2,1-3H3,(H2,12,13,14)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-5.27507 kcal/mol

Physical Properties
Molecular Weight: 244.227 g/mol	logS: -3.41246	SlogP: 1.7755	Reactive groups: 0

Topological Properties
Globularity: 0.0876466	Sterimol/B1: 2.76504	Sterimol/B2: 3.27399	Sterimol/B3: 3.89913
Sterimol/B4: 4.68687	Sterimol/L: 13.9698

Surface and Volume Properties
Accessible surface: 448.192	Positive charged surface: 256.623	Negative charged surface: 191.57	Volume: 224.5
Hydrophobic surface: 247.116	Hydrophilic surface: 201.076

Pharmacophoric Properties
Hydrogen bond donors: 3	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.