MMsINC Database Search


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MMsINC code: MMs03237654

Type: Neutral
Formula: C₁₃H₃₁NO₆P₂

SMILES:

P(OCC)(OCC)(=O)C(P(OCC)(OCC)=O)N(CC)CC

InChI:

InChI=1/C13H31NO6P2/c1-7-14(8-2)13(21(15,17-9-3)18-10-4)22(16,19-11-5)20-12-6/h13H,7-12H2,1-6H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.694 kcal/mol

Physical Properties
Molecular Weight: 359.34 g/mol	logS: -0.92986	SlogP: 2.0036	Reactive groups: 0

Topological Properties
Globularity: 0.154511	Sterimol/B1: 2.48316	Sterimol/B2: 3.82524	Sterimol/B3: 4.70805
Sterimol/B4: 9.72052	Sterimol/L: 15.242

Surface and Volume Properties
Accessible surface: 577.299	Positive charged surface: 420.101	Negative charged surface: 157.197	Volume: 338.125
Hydrophobic surface: 418.366	Hydrophilic surface: 158.933

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 7	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.