MMsINC Database Search


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MMsINC code: MMs02623181

Type: Neutral
Formula: C₁₅H₂₅N₂O₄P

SMILES:

P(OC(C)C)(OC(C)C)(=O)NC(C(=O)Nc1ccccc1)C

InChI:

InChI=1/C15H25N2O4P/c1-11(2)20-22(19,21-12(3)4)17-13(5)15(18)16-14-9-7-6-8-10-14/h6-13H,1-5H3,(H,16,18)(H,17,19)/t13-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=16.6571 kcal/mol

Physical Properties
Molecular Weight: 328.349 g/mol	logS: -2.94115	SlogP: 2.4911	Reactive groups: 0

Topological Properties
Globularity: 0.102113	Sterimol/B1: 2.21928	Sterimol/B2: 3.03786	Sterimol/B3: 5.65581
Sterimol/B4: 7.62821	Sterimol/L: 16.7239

Surface and Volume Properties
Accessible surface: 598.846	Positive charged surface: 369.813	Negative charged surface: 229.033	Volume: 320.75
Hydrophobic surface: 432.486	Hydrophilic surface: 166.36

Pharmacophoric Properties
Hydrogen bond donors: 2	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.