MMsINC Database Search


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MMsINC code: MMs01822104

Type: Neutral
Formula: C₁₂H₁₀ClF₇N₂O

SMILES:

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

InChI:

InChI=1/C12H10ClF7N2O/c1-2-10(11(15,16)17,12(18,19)20)22-9(23)21-6-3-4-8(14)7(13)5-6/h3-5H,2H2,1H3,(H2,21,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.0736 kcal/mol

Physical Properties
Molecular Weight: 366.664 g/mol	logS: -5.15242	SlogP: 5.7138	Reactive groups: 0

Topological Properties
Globularity: 0.10747	Sterimol/B1: 2.3561	Sterimol/B2: 2.55172	Sterimol/B3: 4.80891
Sterimol/B4: 5.73907	Sterimol/L: 14.4387

Surface and Volume Properties
Accessible surface: 486.658	Positive charged surface: 167.788	Negative charged surface: 318.87	Volume: 254.75
Hydrophobic surface: 277.562	Hydrophilic surface: 209.096

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.