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MMsINC code: MMs00637582

Type: Neutral
Formula: C₁₈H₁₇ClF₂N₂O₂

SMILES:

Clc1cc(F)c(F)cc1C(=O)Nc1ccccc1C(=O)NC(C)(C)C

InChI:

InChI=1/C18H17ClF2N2O2/c1-18(2,3)23-17(25)10-6-4-5-7-15(10)22-16(24)11-8-13(20)14(21)9-12(11)19/h4-9H,1-3H3,(H,22,24)(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.706 kcal/mol

Physical Properties
Molecular Weight: 366.795 g/mol	logS: -5.80688	SlogP: 4.3988	Reactive groups: 0

Topological Properties
Globularity: 0.0644709	Sterimol/B1: 2.42261	Sterimol/B2: 2.84919	Sterimol/B3: 4.77264
Sterimol/B4: 8.81615	Sterimol/L: 14.9262

Surface and Volume Properties
Accessible surface: 582.875	Positive charged surface: 292.081	Negative charged surface: 290.794	Volume: 318.25
Hydrophobic surface: 495.413	Hydrophilic surface: 87.462

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