MMsINC Database Search


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MMsINC code: MMs00268955

Type: Neutral
Formula: C₁₁H₉Cl₄F₃N₂O

SMILES:

Clc1ccc(cc1NC(NC(=O)C)C(Cl)(Cl)Cl)C(F)(F)F

InChI:

InChI=1/C11H9Cl4F3N2O/c1-5(21)19-9(10(13,14)15)20-8-4-6(11(16,17)18)2-3-7(8)12/h2-4,9,20H,1H3,(H,19,21)/t9-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.5174 kcal/mol

Physical Properties
Molecular Weight: 384.012 g/mol	logS: -5.4406	SlogP: 5.3345	Reactive groups: 0

Topological Properties
Globularity: 0.240522	Sterimol/B1: 2.54673	Sterimol/B2: 2.89669	Sterimol/B3: 5.86773
Sterimol/B4: 7.1149	Sterimol/L: 11.6284

Surface and Volume Properties
Accessible surface: 516.923	Positive charged surface: 128.171	Negative charged surface: 388.752	Volume: 274
Hydrophobic surface: 234.267	Hydrophilic surface: 282.656

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 1	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.