MMsINC Database Search


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MMsINC code: MMs03409422

Type: Neutral
Formula: C₁₁H₁₉NO₆P₂

SMILES:

P(O)(O)(=O)C(P(O)(O)=O)Nc1ccc(cc1)CCCC

InChI:

InChI=1/C11H19NO6P2/c1-2-3-4-9-5-7-10(8-6-9)12-11(19(13,14)15)20(16,17)18/h5-8,11-12H,2-4H2,1H3,(H2,13,14,15)(H2,16,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=3.8109 kcal/mol

Physical Properties
Molecular Weight: 323.222 g/mol	logS: -1.29837	SlogP: -0.06033	Reactive groups: 0

Topological Properties
Globularity: 0.0798763	Sterimol/B1: 2.49918	Sterimol/B2: 3.6364	Sterimol/B3: 5.06076
Sterimol/B4: 5.06398	Sterimol/L: 16.6714

Surface and Volume Properties
Accessible surface: 529.041	Positive charged surface: 309.914	Negative charged surface: 219.127	Volume: 271
Hydrophobic surface: 274.825	Hydrophilic surface: 254.216

Pharmacophoric Properties
Hydrogen bond donors: 7	Hydrogen bond acceptors: 6	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

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Ions/Tautomers related molecules: no related molecules available.