MMsINC Database Search


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MMsINC code: MMs00106482

Type: Ionized
Formula: C₉H₁₀O₃P-

SMILES:

P(=O)(C)(C)c1ccccc1C(=O)[O-]

InChI:

InChI=1/C9H11O3P/c1-13(2,12)8-6-4-3-5-7(8)9(10)11/h3-6H,1-2H3,(H,10,11)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=36.2741 kcal/mol

Physical Properties
Molecular Weight: 197.15 g/mol	logS: -1.15597	SlogP: -0.7721	Reactive groups: 0

Topological Properties
Globularity: 0.145245	Sterimol/B1: 2.69125	Sterimol/B2: 3.05909	Sterimol/B3: 4.08671
Sterimol/B4: 6.02362	Sterimol/L: 10.4092

Surface and Volume Properties
Accessible surface: 366.98	Positive charged surface: 178.23	Negative charged surface: 188.75	Volume: 180.625
Hydrophobic surface: 234.743	Hydrophilic surface: 132.237

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	Acid groups: 2	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

search links for this molecule:

Parent related molecule:

MMs00106481
ASINEX-ZINC00277808