MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs03269638

Type: Neutral
Formula: C₁₀H₁₅O₄P

SMILES:

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

InChI:

InChI=1/C10H15O4P/c1-10(2,3)8-4-6-9(7-5-8)14-15(11,12)13/h4-7H,1-3H3,(H2,11,12,13)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-13.2771 kcal/mol

Physical Properties
Molecular Weight: 230.2 g/mol	logS: -2.89724	SlogP: 1.3854	Reactive groups: 0

Topological Properties
Globularity: 0.0994789	Sterimol/B1: 2.45695	Sterimol/B2: 3.06936	Sterimol/B3: 4.28242
Sterimol/B4: 4.69396	Sterimol/L: 13.2555

Surface and Volume Properties
Accessible surface: 426.847	Positive charged surface: 242.793	Negative charged surface: 184.055	Volume: 207.75
Hydrophobic surface: 227.404	Hydrophilic surface: 199.443

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.