MMsINC Database Search


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MMsINC code: MMs01819853

Type: Neutral
Formula: C₁₆H₂₅N₂O₅P

SMILES:

P(OC(C)C)(OC(C)C)(=O)C(NC(=O)c1ccccc1C)C(=O)N

InChI:

InChI=1/C16H25N2O5P/c1-10(2)22-24(21,23-11(3)4)16(14(17)19)18-15(20)13-9-7-6-8-12(13)5/h6-11,16H,1-5H3,(H2,17,19)(H,18,20)/t16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.434 kcal/mol

Physical Properties
Molecular Weight: 356.359 g/mol	logS: -3.4939	SlogP: 1.50912	Reactive groups: 0

Topological Properties
Globularity: 0.139412	Sterimol/B1: 2.52682	Sterimol/B2: 2.9254	Sterimol/B3: 5.94834
Sterimol/B4: 7.10623	Sterimol/L: 15.6009

Surface and Volume Properties
Accessible surface: 609.913	Positive charged surface: 369.428	Negative charged surface: 240.485	Volume: 336
Hydrophobic surface: 409.727	Hydrophilic surface: 200.186

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.