MMsINC Database Search


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MMsINC code: MMs00603906

Type: Neutral
Formula: C₁₀H₁₀Cl₃NO

SMILES:

ClC(Cl)(Cl)C(=O)NC(C)c1ccccc1

InChI:

InChI=1/C10H10Cl3NO/c1-7(8-5-3-2-4-6-8)14-9(15)10(11,12)13/h2-7H,1H3,(H,14,15)/t7-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.2559 kcal/mol

Physical Properties
Molecular Weight: 266.555 g/mol	logS: -4.26598	SlogP: 3.7494	Reactive groups: 0

Topological Properties
Globularity: 0.153712	Sterimol/B1: 2.27275	Sterimol/B2: 2.35846	Sterimol/B3: 4.77855
Sterimol/B4: 6.15795	Sterimol/L: 13.2504

Surface and Volume Properties
Accessible surface: 449.156	Positive charged surface: 151.901	Negative charged surface: 297.255	Volume: 222.5
Hydrophobic surface: 229.197	Hydrophilic surface: 219.959

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.