MMsINC Database Search


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MMsINC code: MMs00675010

Type: Neutral
Formula: C₁₆H₁₂Cl₂F₃NO₂

SMILES:

Clc1cc(C(F)(F)F)c(NC(=O)COc2ccc(Cl)cc2C)cc1

InChI:

InChI=1/C16H12Cl2F3NO2/c1-9-6-10(17)3-5-14(9)24-8-15(23)22-13-4-2-11(18)7-12(13)16(19,20)21/h2-7H,8H2,1H3,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.7867 kcal/mol

Physical Properties
Molecular Weight: 378.177 g/mol	logS: -6.11729	SlogP: 5.64962	Reactive groups: 0

Topological Properties
Globularity: 0.0226134	Sterimol/B1: 2.1548	Sterimol/B2: 2.53337	Sterimol/B3: 3.27566
Sterimol/B4: 6.69153	Sterimol/L: 18.4153

Surface and Volume Properties
Accessible surface: 572.675	Positive charged surface: 211.828	Negative charged surface: 360.847	Volume: 299.25
Hydrophobic surface: 446.61	Hydrophilic surface: 126.065

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.