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MMsINC code: MMs02125436

Type: Neutral
Formula: C₁₉H₂₆Cl₂N₂O

SMILES:

Clc1cc(ccc1Cl)CC(=O)N(C)C1CCCCC1N1CCCC1

InChI:

InChI=1/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.6034 kcal/mol

Physical Properties
Molecular Weight: 369.336 g/mol	logS: -4.36126	SlogP: 4.40127	Reactive groups: 0

Topological Properties
Globularity: 0.145189	Sterimol/B1: 2.09265	Sterimol/B2: 3.42146	Sterimol/B3: 5.90973
Sterimol/B4: 7.23858	Sterimol/L: 15.7296

Surface and Volume Properties
Accessible surface: 600.373	Positive charged surface: 375.613	Negative charged surface: 224.76	Volume: 352.25
Hydrophobic surface: 585.45	Hydrophilic surface: 14.923

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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

MMs02125437
LOPAC-ZINC00643032