MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs02299497

Type: Neutral
Formula: C₁₇H₂₀NO₅P

SMILES:

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

InChI:

InChI=1/C17H20NO5P/c1-22-24(21,23-2)17(20)15(13-9-5-3-6-10-13)18-16(19)14-11-7-4-8-12-14/h3-12,15,17,20H,1-2H3,(H,18,19)/t15-,17-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.9096 kcal/mol

Physical Properties
Molecular Weight: 349.323 g/mol	logS: -2.99794	SlogP: 1.9873	Reactive groups: 0

Topological Properties
Globularity: 0.0942828	Sterimol/B1: 2.27826	Sterimol/B2: 3.53642	Sterimol/B3: 4.05342
Sterimol/B4: 8.54325	Sterimol/L: 15.8657

Surface and Volume Properties
Accessible surface: 571.459	Positive charged surface: 365.605	Negative charged surface: 205.854	Volume: 323.375
Hydrophobic surface: 471.9	Hydrophilic surface: 99.559

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 5	Acid groups: 0	Basic groups: 0
Chiral centers: 2

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.