MMsINC Database Search


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MMsINC code: MMs01564707

Type: Neutral
Formula: C₁₉H₁₉FN₂O₅

SMILES:

Fc1ccc(NC(=O)CN(C(=O)COC(=O)c2cccc(C)c2O)C)cc1

InChI:

InChI=1/C19H19FN2O5/c1-12-4-3-5-15(18(12)25)19(26)27-11-17(24)22(2)10-16(23)21-14-8-6-13(20)7-9-14/h3-9,25H,10-11H2,1-2H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.378 kcal/mol

Physical Properties
Molecular Weight: 374.368 g/mol	logS: -3.92312	SlogP: 2.09362	Reactive groups: 0

Topological Properties
Globularity: 0.0567846	Sterimol/B1: 3.61139	Sterimol/B2: 3.86628	Sterimol/B3: 4.59641
Sterimol/B4: 6.44861	Sterimol/L: 19.1309

Surface and Volume Properties
Accessible surface: 650.035	Positive charged surface: 401.942	Negative charged surface: 248.093	Volume: 338
Hydrophobic surface: 511.306	Hydrophilic surface: 138.729

Pharmacophoric Properties
Hydrogen bond donors: 2	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.