MMsINC Database Search


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MMsINC code: MMs01775523

Type: Neutral
Formula: C₈H₂₀NO₃P

SMILES:

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

InChI:

InChI=1/C8H20NO3P/c1-5-9(6-2)13(10,11-7-3)12-8-4/h5-8H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-19.6968 kcal/mol

Physical Properties
Molecular Weight: 209.226 g/mol	logS: -0.69309	SlogP: 1.4391	Reactive groups: 0

Topological Properties
Globularity: 0.2615	Sterimol/B1: 2.57	Sterimol/B2: 2.65466	Sterimol/B3: 5.47641
Sterimol/B4: 7.28309	Sterimol/L: 12.142

Surface and Volume Properties
Accessible surface: 443.705	Positive charged surface: 315.543	Negative charged surface: 128.162	Volume: 212.5
Hydrophobic surface: 312.277	Hydrophilic surface: 131.428

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.