MMsINC Database Search


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MMsINC code: MMs01870672

Type: Neutral
Formula: C₁₁H₈ClF₇N₂O

SMILES:

Clc1cc(NC(=O)NC(C(F)(F)F)(C(F)(F)F)C)ccc1F

InChI:

InChI=1/C11H8ClF7N2O/c1-9(10(14,15)16,11(17,18)19)21-8(22)20-5-2-3-7(13)6(12)4-5/h2-4H,1H3,(H2,20,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.7548 kcal/mol

Physical Properties
Molecular Weight: 352.637 g/mol	logS: -4.95065	SlogP: 5.3237	Reactive groups: 0

Topological Properties
Globularity: 0.0794142	Sterimol/B1: 2.78687	Sterimol/B2: 3.70978	Sterimol/B3: 4.25484
Sterimol/B4: 5.33243	Sterimol/L: 13.9246

Surface and Volume Properties
Accessible surface: 475.452	Positive charged surface: 150.435	Negative charged surface: 325.018	Volume: 238.25
Hydrophobic surface: 250.931	Hydrophilic surface: 224.521

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.