MMsINC Database Search


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MMsINC code: MMs03022721

Type: Neutral
Formula: C₁₁H₁₄Cl₂N₂O₂

SMILES:

Clc1cc(cc(Cl)c1OCC(C)C)C(=O)NN

InChI:

InChI=1/C11H14Cl2N2O2/c1-6(2)5-17-10-8(12)3-7(4-9(10)13)11(16)15-14/h3-4,6H,5,14H2,1-2H3,(H,15,16)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.2656 kcal/mol

Physical Properties
Molecular Weight: 277.151 g/mol	logS: -3.86664	SlogP: 2.6317	Reactive groups: 0

Topological Properties
Globularity: 0.0370855	Sterimol/B1: 2.59935	Sterimol/B2: 3.83594	Sterimol/B3: 3.89314
Sterimol/B4: 5.47144	Sterimol/L: 15.3377

Surface and Volume Properties
Accessible surface: 481.685	Positive charged surface: 255.933	Negative charged surface: 225.752	Volume: 239.75
Hydrophobic surface: 310.633	Hydrophilic surface: 171.052

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.