MMsINC Database Search


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MMsINC code: MMs01446647

Type: Neutral
Formula: C₂₃H₁₉F₂NO₃

SMILES:

Fc1ccc(cc1)C(=O)c1ccc(OCC(=O)NC(C)c2ccc(F)cc2)cc1

InChI:

InChI=1/C23H19F2NO3/c1-15(16-2-8-19(24)9-3-16)26-22(27)14-29-21-12-6-18(7-13-21)23(28)17-4-10-20(25)11-5-17/h2-13,15H,14H2,1H3,(H,26,27)/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=115.292 kcal/mol

Physical Properties
Molecular Weight: 395.405 g/mol	logS: -6.36571	SlogP: 4.5475	Reactive groups: 0

Topological Properties
Globularity: 0.0386949	Sterimol/B1: 2.05599	Sterimol/B2: 2.48317	Sterimol/B3: 5.70155
Sterimol/B4: 5.83229	Sterimol/L: 21.4414

Surface and Volume Properties
Accessible surface: 669.264	Positive charged surface: 344.246	Negative charged surface: 325.018	Volume: 361.625
Hydrophobic surface: 568.264	Hydrophilic surface: 101

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.