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MMsINC code: MMs02878259

Type: Neutral
Formula: C₁₉H₂₆Cl₂N₂O

SMILES:

Clc1c(NC(=O)N(C2CCCCC2)C2CCCCC2)cccc1Cl

InChI:

InChI=1/C19H26Cl2N2O/c20-16-12-7-13-17(18(16)21)22-19(24)23(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h7,12-15H,1-6,8-11H2,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.6253 kcal/mol

Physical Properties
Molecular Weight: 369.336 g/mol	logS: -5.73306	SlogP: 6.4927	Reactive groups: 0

Topological Properties
Globularity: 0.15723	Sterimol/B1: 2.43764	Sterimol/B2: 3.28093	Sterimol/B3: 4.23218
Sterimol/B4: 9.9852	Sterimol/L: 15.1512

Surface and Volume Properties
Accessible surface: 580.401	Positive charged surface: 358.004	Negative charged surface: 222.397	Volume: 345.75
Hydrophobic surface: 573.07	Hydrophilic surface: 7.3309999999999

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.