MMsINC Database Search


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MMsINC code: MMs02251377

Type: Neutral
Formula: C₉H₂₀NO₄P

SMILES:

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

InChI:

InChI=1/C9H20NO4P/c1-5-10(6-2)9(11)15(12,13-7-3)14-8-4/h5-8H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=40.4341 kcal/mol

Physical Properties
Molecular Weight: 237.236 g/mol	logS: -1.04276	SlogP: 1.6441	Reactive groups: 0

Topological Properties
Globularity: 0.0859919	Sterimol/B1: 3.32913	Sterimol/B2: 3.34661	Sterimol/B3: 3.4006
Sterimol/B4: 6.80626	Sterimol/L: 12.9652

Surface and Volume Properties
Accessible surface: 464.34	Positive charged surface: 327.877	Negative charged surface: 136.463	Volume: 231.375
Hydrophobic surface: 317.305	Hydrophilic surface: 147.035

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

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Ions/Tautomers related molecules: no related molecules available.