MMsINC Database Search


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

MMsINC code: MMs03482057

Type: Neutral
Formula: C₁₄H₁₅O₄P

SMILES:

P(Oc1ccc(cc1)-c1ccccc1)(OC)(OC)=O

InChI:

InChI=1/C14H15O4P/c1-16-19(15,17-2)18-14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-11H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.9119 kcal/mol

Physical Properties
Molecular Weight: 278.244 g/mol	logS: -3.9944	SlogP: 3.0631	Reactive groups: 0

Topological Properties
Globularity: 0.0268216	Sterimol/B1: 2.29285	Sterimol/B2: 2.54982	Sterimol/B3: 3.27144
Sterimol/B4: 6.12254	Sterimol/L: 16.6631

Surface and Volume Properties
Accessible surface: 493.427	Positive charged surface: 290.047	Negative charged surface: 193.139	Volume: 258.5
Hydrophobic surface: 435.072	Hydrophilic surface: 58.355

Pharmacophoric Properties
Hydrogen bond donors: 0	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.