MMsINC Database Search


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MMsINC code: MMs01898010

Type: Neutral
Formula: C₁₇H₃₀NO₄P

SMILES:

P(OCCCC)(OCCCC)(=O)C(O)c1ccc(N(C)C)cc1

InChI:

InChI=1/C17H30NO4P/c1-5-7-13-21-23(20,22-14-8-6-2)17(19)15-9-11-16(12-10-15)18(3)4/h9-12,17,19H,5-8,13-14H2,1-4H3/t17-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.8204 kcal/mol

Physical Properties
Molecular Weight: 343.404 g/mol	logS: -3.07328	SlogP: 3.5953	Reactive groups: 0

Topological Properties
Globularity: 0.0641179	Sterimol/B1: 2.2662	Sterimol/B2: 3.73606	Sterimol/B3: 4.15962
Sterimol/B4: 9.93255	Sterimol/L: 18.527

Surface and Volume Properties
Accessible surface: 664.816	Positive charged surface: 507.062	Negative charged surface: 157.754	Volume: 349.75
Hydrophobic surface: 553.332	Hydrophilic surface: 111.484

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.