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MMsINC code: MMs03217531

Type: Neutral
Formula: C₁₅H₂₀Cl₂N₂O₂

SMILES:

ClCCN(CCCl)c1cc2CC(CCc2cc1)C(ON)=O

InChI:

InChI=1/C15H20Cl2N2O2/c16-5-7-19(8-6-17)14-4-3-11-1-2-12(15(20)21-18)9-13(11)10-14/h3-4,10,12H,1-2,5-9,18H2/t12-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.309 kcal/mol

Physical Properties
Molecular Weight: 331.243 g/mol	logS: -3.82754	SlogP: 2.49234	Reactive groups: 1

Topological Properties
Globularity: 0.0535942	Sterimol/B1: 2.60825	Sterimol/B2: 3.26743	Sterimol/B3: 3.70332
Sterimol/B4: 8.09566	Sterimol/L: 16.1887

Surface and Volume Properties
Accessible surface: 563.717	Positive charged surface: 315.665	Negative charged surface: 248.052	Volume: 301.375
Hydrophobic surface: 304.116	Hydrophilic surface: 259.601

Pharmacophoric Properties
Hydrogen bond donors: 1	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.