MMsINC Database Search


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MMsINC code: MMs01840549

Type: Neutral
Formula: C₁₄H₂₂NO₄P

SMILES:

P(OCC)(OCC)(=O)C(NC(=O)C)Cc1ccccc1

InChI:

InChI=1/C14H22NO4P/c1-4-18-20(17,19-5-2)14(15-12(3)16)11-13-9-7-6-8-10-13/h6-10,14H,4-5,11H2,1-3H3,(H,15,16)/t14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.6934 kcal/mol

Physical Properties
Molecular Weight: 299.307 g/mol	logS: -2.15583	SlogP: 1.88717	Reactive groups: 0

Topological Properties
Globularity: 0.120301	Sterimol/B1: 2.81136	Sterimol/B2: 3.37156	Sterimol/B3: 4.44282
Sterimol/B4: 7.18096	Sterimol/L: 13.3752

Surface and Volume Properties
Accessible surface: 529.346	Positive charged surface: 347.759	Negative charged surface: 181.587	Volume: 288.625
Hydrophobic surface: 422.233	Hydrophilic surface: 107.113

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.