MMsINC Database Search


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MMsINC code: MMs02876149

Type: Neutral
Formula: C₁₅H₁₁Cl₂F₃N₂O

SMILES:

Clc1cc(Cl)ccc1CNC(=O)Nc1cc(ccc1)C(F)(F)F

InChI:

InChI=1/C15H11Cl2F3N2O/c16-11-5-4-9(13(17)7-11)8-21-14(23)22-12-3-1-2-10(6-12)15(18,19)20/h1-7H,8H2,(H2,21,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=41.8832 kcal/mol

Physical Properties
Molecular Weight: 363.166 g/mol	logS: -5.72122	SlogP: 5.9118	Reactive groups: 0

Topological Properties
Globularity: 0.0348313	Sterimol/B1: 2.60758	Sterimol/B2: 2.69031	Sterimol/B3: 4.20998
Sterimol/B4: 6.0528	Sterimol/L: 17.589

Surface and Volume Properties
Accessible surface: 560.892	Positive charged surface: 204.319	Negative charged surface: 356.573	Volume: 286.5
Hydrophobic surface: 395.754	Hydrophilic surface: 165.138

Pharmacophoric Properties
Hydrogen bond donors: 2	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.