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MMsINC code: MMs00920261

Type: Neutral
Formula: C₁₇H₁₈Cl₂N₂O₂

SMILES:

Clc1cc(ccc1Cl)-c1onc(c1)C(=O)N1CCCCC1CC

InChI:

InChI=1/C17H18Cl2N2O2/c1-2-12-5-3-4-8-21(12)17(22)15-10-16(23-20-15)11-6-7-13(18)14(19)9-11/h6-7,9-10,12H,2-5,8H2,1H3/t12-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.506 kcal/mol

Physical Properties
Molecular Weight: 353.249 g/mol	logS: -5.37118	SlogP: 5.0531	Reactive groups: 0

Topological Properties
Globularity: 0.0274819	Sterimol/B1: 2.54551	Sterimol/B2: 2.58266	Sterimol/B3: 3.44744
Sterimol/B4: 7.3671	Sterimol/L: 17.4805

Surface and Volume Properties
Accessible surface: 572.261	Positive charged surface: 303.287	Negative charged surface: 268.974	Volume: 314.625
Hydrophobic surface: 509.483	Hydrophilic surface: 62.778

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.