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MMsINC code: MMs01296171

Type: Tautomer
Formula: C₁₁H₁₇O₃P

SMILES:

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

InChI:

InChI=1/C11H17O3P/c1-11(2,3)9-5-7-10(8-6-9)14-15(4,12)13/h5-8H,1-4H3,(H,12,13)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=36.8948 kcal/mol

Physical Properties
Molecular Weight: 228.228 g/mol	logS: -2.98786	SlogP: 2.1079	Reactive groups: 0

Topological Properties
Globularity: 0.0898391	Sterimol/B1: 2.33757	Sterimol/B2: 2.97961	Sterimol/B3: 4.30718
Sterimol/B4: 4.77994	Sterimol/L: 13.6058

Surface and Volume Properties
Accessible surface: 447.589	Positive charged surface: 276.438	Negative charged surface: 171.151	Volume: 222
Hydrophobic surface: 292.048	Hydrophilic surface: 155.541

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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

search links for this molecule:

Parent related molecule:

MMs01296170
ENAMINE-ZINC03177068