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MMsINC code: MMs01441747

Type: Neutral
Formula: C₁₈H₂₀Cl₂N₂O

SMILES:

Clc1cccc(Cl)c1CC(=O)NCC(N(C)C)c1ccccc1

InChI:

InChI=1/C18H20Cl2N2O/c1-22(2)17(13-7-4-3-5-8-13)12-21-18(23)11-14-15(19)9-6-10-16(14)20/h3-10,17H,11-12H2,1-2H3,(H,21,23)/t17-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.9896 kcal/mol

Physical Properties
Molecular Weight: 351.277 g/mol	logS: -4.72685	SlogP: 4.05047	Reactive groups: 0

Topological Properties
Globularity: 0.106745	Sterimol/B1: 2.80159	Sterimol/B2: 3.52748	Sterimol/B3: 5.57557
Sterimol/B4: 6.34797	Sterimol/L: 16.5606

Surface and Volume Properties
Accessible surface: 593.633	Positive charged surface: 332.127	Negative charged surface: 261.506	Volume: 328
Hydrophobic surface: 563.288	Hydrophilic surface: 30.345

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

MMs01441748
ENAMINE-ZINC03437591