MMsINC Database Search


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MMsINC code: MMs00716537

Type: Neutral
Formula: C₁₇H₁₅ClF₃NO₂

SMILES:

Clc1ccc(NC(=O)COc2cc(C)c(cc2)C)cc1C(F)(F)F

InChI:

InChI=1/C17H15ClF3NO2/c1-10-3-5-13(7-11(10)2)24-9-16(23)22-12-4-6-15(18)14(8-12)17(19,20)21/h3-8H,9H2,1-2H3,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.0024 kcal/mol

Physical Properties
Molecular Weight: 357.759 g/mol	logS: -6.17037	SlogP: 5.30464	Reactive groups: 0

Topological Properties
Globularity: 0.0177836	Sterimol/B1: 2.754	Sterimol/B2: 2.9951	Sterimol/B3: 3.46202
Sterimol/B4: 5.41004	Sterimol/L: 18.3316

Surface and Volume Properties
Accessible surface: 590.197	Positive charged surface: 266.647	Negative charged surface: 323.55	Volume: 300.25
Hydrophobic surface: 440.649	Hydrophilic surface: 149.548

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.