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MMsINC code: MMs00178177

Type: Neutral
Formula: C₁₇H₁₈Cl₂N₂O₂

SMILES:

Clc1cc(Cl)ccc1-c1onc(c1)C(=O)N(C)C1CCCCC1

InChI:

InChI=1/C17H18Cl2N2O2/c1-21(12-5-3-2-4-6-12)17(22)15-10-16(23-20-15)13-8-7-11(18)9-14(13)19/h7-10,12H,2-6H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.9756 kcal/mol

Physical Properties
Molecular Weight: 353.249 g/mol	logS: -5.55919	SlogP: 5.0531	Reactive groups: 0

Topological Properties
Globularity: 0.0425412	Sterimol/B1: 2.24698	Sterimol/B2: 2.52795	Sterimol/B3: 4.29522
Sterimol/B4: 6.06835	Sterimol/L: 19.3465

Surface and Volume Properties
Accessible surface: 574.984	Positive charged surface: 313.939	Negative charged surface: 261.045	Volume: 314.75
Hydrophobic surface: 525.581	Hydrophilic surface: 49.403

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.