MMsINC Database Search


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MMsINC code: MMs01525843

Type: Neutral
Formula: C₁₉H₁₉ClFNO₃

SMILES:

Clc1cccc(F)c1C(OCC(=O)NC(CCc1ccccc1)C)=O

InChI:

InChI=1/C19H19ClFNO3/c1-13(10-11-14-6-3-2-4-7-14)22-17(23)12-25-19(24)18-15(20)8-5-9-16(18)21/h2-9,13H,10-12H2,1H3,(H,22,23)/t13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.7579 kcal/mol

Physical Properties
Molecular Weight: 363.816 g/mol	logS: -5.3268	SlogP: 3.77337	Reactive groups: 0

Topological Properties
Globularity: 0.0492864	Sterimol/B1: 2.03592	Sterimol/B2: 3.59878	Sterimol/B3: 3.80281
Sterimol/B4: 8.13378	Sterimol/L: 19.8889

Surface and Volume Properties
Accessible surface: 642.624	Positive charged surface: 334.22	Negative charged surface: 308.404	Volume: 335.125
Hydrophobic surface: 550.934	Hydrophilic surface: 91.69

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.