MMsINC Database Search


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MMsINC code: MMs01114740

Type: Neutral
Formula: C₁₀H₉Cl₃N₂O₂

SMILES:

ClC(Cl)(Cl)C(=O)Nc1cc(NC(=O)C)ccc1

InChI:

InChI=1/C10H9Cl3N2O2/c1-6(16)14-7-3-2-4-8(5-7)15-9(17)10(11,12)13/h2-5H,1H3,(H,14,16)(H,15,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.7764 kcal/mol

Physical Properties
Molecular Weight: 295.553 g/mol	logS: -4.20418	SlogP: 3.3736	Reactive groups: 0

Topological Properties
Globularity: 0.0297951	Sterimol/B1: 3.00848	Sterimol/B2: 3.56739	Sterimol/B3: 3.66065
Sterimol/B4: 5.67709	Sterimol/L: 15.3062

Surface and Volume Properties
Accessible surface: 475.029	Positive charged surface: 176.571	Negative charged surface: 298.459	Volume: 230.125
Hydrophobic surface: 217.376	Hydrophilic surface: 257.653

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