MMsINC Database Search


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MMsINC code: MMs03161301

Type: Neutral
Formula: C₂₀H₁₈ClF₃N₂O₂

SMILES:

Clc1ccc(cc1)C(=O)N1CCC(CC1)C(=O)Nc1ccccc1C(F)(F)F

InChI:

InChI=1/C20H18ClF3N2O2/c21-15-7-5-14(6-8-15)19(28)26-11-9-13(10-12-26)18(27)25-17-4-2-1-3-16(17)20(22,23)24/h1-8,13H,9-12H2,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.925 kcal/mol

Physical Properties
Molecular Weight: 410.823 g/mol	logS: -5.52115	SlogP: 5.1612	Reactive groups: 0

Topological Properties
Globularity: 0.0636291	Sterimol/B1: 3.11857	Sterimol/B2: 3.66207	Sterimol/B3: 4.13015
Sterimol/B4: 6.2897	Sterimol/L: 18.5416

Surface and Volume Properties
Accessible surface: 621.356	Positive charged surface: 288.087	Negative charged surface: 333.269	Volume: 346.625
Hydrophobic surface: 477.802	Hydrophilic surface: 143.554

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.