MMsINC Database Search


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MMsINC code: MMs02992426

Type: Neutral
Formula: C₁₇H₂₀NO₅P

SMILES:

P(OC)(OC)(=O)C(Nc1ccc(cc1)C(OC)=O)c1ccccc1

InChI:

InChI=1/C17H20NO5P/c1-21-17(19)14-9-11-15(12-10-14)18-16(24(20,22-2)23-3)13-7-5-4-6-8-13/h4-12,16,18H,1-3H3/t16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.9 kcal/mol

Physical Properties
Molecular Weight: 349.323 g/mol	logS: -3.23254	SlogP: 3.0951	Reactive groups: 0

Topological Properties
Globularity: 0.0971145	Sterimol/B1: 3.59685	Sterimol/B2: 3.87917	Sterimol/B3: 5.14059
Sterimol/B4: 6.14365	Sterimol/L: 16.2661

Surface and Volume Properties
Accessible surface: 613.6	Positive charged surface: 426.976	Negative charged surface: 186.625	Volume: 325.125
Hydrophobic surface: 543.646	Hydrophilic surface: 69.954

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.