MMsINC Database Search


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MMsINC code: MMs01473211

Type: Neutral
Formula: C₁₈H₁₇FN₂O₅

SMILES:

Fc1ccc(NC(=O)CNC(=O)COC(=O)c2ccc(cc2O)C)cc1

InChI:

InChI=1/C18H17FN2O5/c1-11-2-7-14(15(22)8-11)18(25)26-10-17(24)20-9-16(23)21-13-5-3-12(19)4-6-13/h2-8,22H,9-10H2,1H3,(H,20,24)(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.5825 kcal/mol

Physical Properties
Molecular Weight: 360.341 g/mol	logS: -4.34256	SlogP: 1.75142	Reactive groups: 0

Topological Properties
Globularity: 0.00802111	Sterimol/B1: 2.62144	Sterimol/B2: 2.82559	Sterimol/B3: 2.83533
Sterimol/B4: 5.57478	Sterimol/L: 22.2163

Surface and Volume Properties
Accessible surface: 642.534	Positive charged surface: 383.447	Negative charged surface: 259.087	Volume: 319.5
Hydrophobic surface: 465.049	Hydrophilic surface: 177.485

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 0

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.