MMsINC Database Search


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MMsINC code: MMs01676377

Type: Neutral
Formula: C₂₀H₁₈ClF₃N₂O₂

SMILES:

Clc1ccc(NC(=O)CN(C(=O)C2(CC2)c2ccccc2)C)cc1C(F)(F)F

InChI:

InChI=1/C20H18ClF3N2O2/c1-26(18(28)19(9-10-19)13-5-3-2-4-6-13)12-17(27)25-14-7-8-16(21)15(11-14)20(22,23)24/h2-8,11H,9-10,12H2,1H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.986 kcal/mol

Physical Properties
Molecular Weight: 410.823 g/mol	logS: -5.57526	SlogP: 4.799	Reactive groups: 0

Topological Properties
Globularity: 0.0588134	Sterimol/B1: 2.08384	Sterimol/B2: 3.02073	Sterimol/B3: 5.20171
Sterimol/B4: 5.30996	Sterimol/L: 18.6922

Surface and Volume Properties
Accessible surface: 629.033	Positive charged surface: 306.373	Negative charged surface: 322.66	Volume: 354
Hydrophobic surface: 444.856	Hydrophilic surface: 184.177

Pharmacophoric Properties
Hydrogen bond donors: 1	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.