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MMsINC code: MMs02677836

Type: Neutral
Formula: C₁₁H₁₄Cl₂N₂O₂

SMILES:

Clc1cc(NC(=O)NC(CC)CO)ccc1Cl

InChI:

InChI=1/C11H14Cl2N2O2/c1-2-7(6-16)14-11(17)15-8-3-4-9(12)10(13)5-8/h3-5,7,16H,2,6H2,1H3,(H2,14,15,17)/t7-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=26.0041 kcal/mol

Physical Properties
Molecular Weight: 277.151 g/mol	logS: -3.22321	SlogP: 2.8858	Reactive groups: 0

Topological Properties
Globularity: 0.108238	Sterimol/B1: 2.39925	Sterimol/B2: 2.43202	Sterimol/B3: 4.96217
Sterimol/B4: 6.30606	Sterimol/L: 14.5864

Surface and Volume Properties
Accessible surface: 487.176	Positive charged surface: 264.818	Negative charged surface: 222.358	Volume: 239.75
Hydrophobic surface: 370.314	Hydrophilic surface: 116.862

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