MMsINC Database Search


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MMsINC code: MMs03004174

Type: Neutral
Formula: C₁₀H₂₄NO₂P

SMILES:

P(OCCCC)(=O)(CN(CC)CC)C

InChI:

InChI=1/C10H24NO2P/c1-5-8-9-13-14(4,12)10-11(6-2)7-3/h5-10H2,1-4H3/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.8316 kcal/mol

Physical Properties
Molecular Weight: 221.281 g/mol	logS: -0.65883	SlogP: 1.9401	Reactive groups: 0

Topological Properties
Globularity: 0.0790225	Sterimol/B1: 2.969	Sterimol/B2: 3.42774	Sterimol/B3: 4.15004
Sterimol/B4: 4.51483	Sterimol/L: 15.8826

Surface and Volume Properties
Accessible surface: 485.004	Positive charged surface: 358.473	Negative charged surface: 126.532	Volume: 236.125
Hydrophobic surface: 368.762	Hydrophilic surface: 116.242

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.