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MMsINC code: MMs00157463

Type: Neutral
Formula: C₁₇H₁₈Cl₂N₂O₂

SMILES:

Clc1cccc(Cl)c1-c1noc(C)c1C(=O)N1CCCCCC1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.9398 kcal/mol

Physical Properties
Molecular Weight: 353.249 g/mol	logS: -5.20444	SlogP: 4.97302	Reactive groups: 0

Topological Properties
Globularity: 0.231198	Sterimol/B1: 2.56232	Sterimol/B2: 4.26316	Sterimol/B3: 5.22755
Sterimol/B4: 7.32927	Sterimol/L: 13.253

Surface and Volume Properties
Accessible surface: 524.527	Positive charged surface: 270.522	Negative charged surface: 254.005	Volume: 314
Hydrophobic surface: 492.595	Hydrophilic surface: 31.932

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.