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MMsINC code: MMs02673094

Type: Neutral
Formula: C₁₂H₁₄Cl₂N₂O

SMILES:

Clc1c(NC(=O)N2CCCCC2)cccc1Cl

InChI:

InChI=1/C12H14Cl2N2O/c13-9-5-4-6-10(11(9)14)15-12(17)16-7-2-1-3-8-16/h4-6H,1-3,7-8H2,(H,15,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=38.0525 kcal/mol

Physical Properties
Molecular Weight: 273.163 g/mol	logS: -3.54493	SlogP: 4.0112	Reactive groups: 0

Topological Properties
Globularity: 0.0443013	Sterimol/B1: 2.49086	Sterimol/B2: 3.22421	Sterimol/B3: 3.33459
Sterimol/B4: 6.24015	Sterimol/L: 13.8718

Surface and Volume Properties
Accessible surface: 469.164	Positive charged surface: 259.227	Negative charged surface: 209.938	Volume: 238.875
Hydrophobic surface: 442.488	Hydrophilic surface: 26.676

Pharmacophoric Properties
Hydrogen bond donors: 1	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.