MMsINC Database Search


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MMsINC code: MMs03273650

Type: Neutral
Formula: C₁₂H₃₀N₂O₄P₂

SMILES:

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

InChI:

InChI=1/C12H30N2O4P2/c1-7-13(8-2)19(14(9-3)10-4)18-20(15,16-11-5)17-12-6/h7-12H2,1-6H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=18.065 kcal/mol

Physical Properties
Molecular Weight: 328.33 g/mol	logS: -1.14806	SlogP: 3.0244	Reactive groups: 1

Topological Properties
Globularity: 0.313332	Sterimol/B1: 2.19966	Sterimol/B2: 2.66804	Sterimol/B3: 7.11918
Sterimol/B4: 7.94163	Sterimol/L: 13.9354

Surface and Volume Properties
Accessible surface: 583.768	Positive charged surface: 430.359	Negative charged surface: 153.41	Volume: 321.125
Hydrophobic surface: 424.638	Hydrophilic surface: 159.13

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 5	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.