MMsINC Database Search


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MMsINC code: MMs00663938

Type: Neutral
Formula: C₁₆H₁₂ClF₄NO₂

SMILES:

Clc1ccc(cc1NC(=O)C(Oc1ccccc1F)C)C(F)(F)F

InChI:

InChI=1/C16H12ClF4NO2/c1-9(24-14-5-3-2-4-12(14)18)15(23)22-13-8-10(16(19,20)21)6-7-11(13)17/h2-9H,1H3,(H,22,23)/t9-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.53 kcal/mol

Physical Properties
Molecular Weight: 361.722 g/mol	logS: -5.84472	SlogP: 5.2154	Reactive groups: 0

Topological Properties
Globularity: 0.0533851	Sterimol/B1: 2.23993	Sterimol/B2: 4.34488	Sterimol/B3: 4.87285
Sterimol/B4: 5.50103	Sterimol/L: 16.196

Surface and Volume Properties
Accessible surface: 560.538	Positive charged surface: 214.447	Negative charged surface: 346.092	Volume: 288.75
Hydrophobic surface: 404.997	Hydrophilic surface: 155.541

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.