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MMsINC code: MMs01451987

Type: Neutral
Formula: C₂₀H₂₄Cl₂N₂O

SMILES:

Clc1cc(Cl)ccc1CN(CC(=O)Nc1c(cccc1CC)CC)C

InChI:

InChI=1/C20H24Cl2N2O/c1-4-14-7-6-8-15(5-2)20(14)23-19(25)13-24(3)12-16-9-10-17(21)11-18(16)22/h6-11H,4-5,12-13H2,1-3H3,(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=112.008 kcal/mol

Physical Properties
Molecular Weight: 379.331 g/mol	logS: -6.07272	SlogP: 5.45504	Reactive groups: 0

Topological Properties
Globularity: 0.0950384	Sterimol/B1: 2.50692	Sterimol/B2: 2.71704	Sterimol/B3: 5.35931
Sterimol/B4: 9.11092	Sterimol/L: 17.3602

Surface and Volume Properties
Accessible surface: 639.801	Positive charged surface: 357.143	Negative charged surface: 282.658	Volume: 364.875
Hydrophobic surface: 567.91	Hydrophilic surface: 71.891

Pharmacophoric Properties
Hydrogen bond donors: 1	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

MMs01451988
ENAMINE-ZINC03453114