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MMsINC code: MMs00488428

Type: Neutral
Formula: C₁₆H₁₈Cl₂N₂O₂

SMILES:

Clc1cc(N2C(=O)C(N3CCC(CC3)C)CC2=O)cc(Cl)c1

InChI:

InChI=1/C16H18Cl2N2O2/c1-10-2-4-19(5-3-10)14-9-15(21)20(16(14)22)13-7-11(17)6-12(18)8-13/h6-8,10,14H,2-5,9H2,1H3/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.5945 kcal/mol

Physical Properties
Molecular Weight: 341.238 g/mol	logS: -4.53489	SlogP: 3.3572	Reactive groups: 0

Topological Properties
Globularity: 0.142925	Sterimol/B1: 3.86735	Sterimol/B2: 4.18666	Sterimol/B3: 4.40216
Sterimol/B4: 6.29941	Sterimol/L: 15.0718

Surface and Volume Properties
Accessible surface: 550.87	Positive charged surface: 281.445	Negative charged surface: 269.426	Volume: 301.875
Hydrophobic surface: 465.287	Hydrophilic surface: 85.583

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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

MMs00488429
CHEMBLOCK-ZINC00049473