MMsINC Database Search


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MMsINC code: MMs02363723

Type: Neutral
Formula: C₁₆H₁₂Cl₂F₃NO₂

SMILES:

Clc1cc(C)c(OC(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1C

InChI:

InChI=1/C16H12Cl2F3NO2/c1-8-6-14(9(2)5-12(8)18)24-15(23)22-13-4-3-10(17)7-11(13)16(19,20)21/h3-7H,1-2H3,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.3757 kcal/mol

Physical Properties
Molecular Weight: 378.177 g/mol	logS: -6.24219	SlogP: 6.55144	Reactive groups: 0

Topological Properties
Globularity: 0.101825	Sterimol/B1: 2.59981	Sterimol/B2: 3.24283	Sterimol/B3: 4.81268
Sterimol/B4: 6.56584	Sterimol/L: 16.2799

Surface and Volume Properties
Accessible surface: 562.067	Positive charged surface: 207.457	Negative charged surface: 354.61	Volume: 297.75
Hydrophobic surface: 438.673	Hydrophilic surface: 123.394

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