MMsINC Database Search


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MMsINC code: MMs01819923

Type: Neutral
Formula: C₁₅H₂₃N₂O₅P

SMILES:

P(OC(C)C)(OC(C)C)(=O)C(NC(=O)c1ccccc1)C(=O)N

InChI:

InChI=1/C15H23N2O5P/c1-10(2)21-23(20,22-11(3)4)15(13(16)18)17-14(19)12-8-6-5-7-9-12/h5-11,15H,1-4H3,(H2,16,18)(H,17,19)/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.6283 kcal/mol

Physical Properties
Molecular Weight: 342.332 g/mol	logS: -3.01998	SlogP: 1.2007	Reactive groups: 0

Topological Properties
Globularity: 0.123456	Sterimol/B1: 2.96968	Sterimol/B2: 4.59475	Sterimol/B3: 5.02594
Sterimol/B4: 6.23991	Sterimol/L: 15.7478

Surface and Volume Properties
Accessible surface: 594.897	Positive charged surface: 357.188	Negative charged surface: 237.709	Volume: 318
Hydrophobic surface: 393.266	Hydrophilic surface: 201.631

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 5	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.