MMsINC Database Search


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MMsINC code: MMs02880486

Type: Neutral
Formula: C₁₀H₁₀ClF₃N₂O

SMILES:

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

InChI:

InChI=1/C10H10ClF3N2O/c1-2-15-9(17)16-8-5-6(10(12,13)14)3-4-7(8)11/h3-5H,2H2,1H3,(H2,15,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=31.894 kcal/mol

Physical Properties
Molecular Weight: 266.65 g/mol	logS: -3.54624	SlogP: 3.8117	Reactive groups: 0

Topological Properties
Globularity: 0.0255961	Sterimol/B1: 2.5542	Sterimol/B2: 2.89751	Sterimol/B3: 4.10053
Sterimol/B4: 5.84922	Sterimol/L: 13.4099

Surface and Volume Properties
Accessible surface: 449.382	Positive charged surface: 201.235	Negative charged surface: 248.147	Volume: 210.75
Hydrophobic surface: 262.694	Hydrophilic surface: 186.688

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.