MMsINC Database Search


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MMsINC code: MMs00813484

Type: Neutral
Formula: C₁₀H₁₄O₂P+

SMILES:

[P+](C)(C)(C)c1ccc(cc1)C(O)=O

InChI:

InChI=1/C10H13O2P/c1-13(2,3)9-6-4-8(5-7-9)10(11)12/h4-7H,1-3H3/p+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=42.8747 kcal/mol

Physical Properties
Molecular Weight: 197.194 g/mol	logS: -0.91462	SlogP: 1.9171	Reactive groups: 0

Topological Properties
Globularity: 0.121972	Sterimol/B1: 1.99971	Sterimol/B2: 3.84634	Sterimol/B3: 3.87511
Sterimol/B4: 5.0925	Sterimol/L: 12.2962

Surface and Volume Properties
Accessible surface: 407.379	Positive charged surface: 246.455	Negative charged surface: 160.925	Volume: 200
Hydrophobic surface: 254.683	Hydrophilic surface: 152.696

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

MMs00813485
CHEMBRIDGE-ZINC04949874