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MMsINC code: MMs02168566

Type: Neutral
Formula: C₂₀H₂₀Cl₂N₂O₂

SMILES:

Clc1ccccc1C(=O)c1cc(Cl)ccc1NC(=O)CN1CCCCC1

InChI:

InChI=1/C20H20Cl2N2O2/c21-14-8-9-18(23-19(25)13-24-10-4-1-5-11-24)16(12-14)20(26)15-6-2-3-7-17(15)22/h2-3,6-9,12H,1,4-5,10-11,13H2,(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.997 kcal/mol

Physical Properties
Molecular Weight: 391.298 g/mol	logS: -5.7804	SlogP: 4.6488	Reactive groups: 0

Topological Properties
Globularity: 0.133803	Sterimol/B1: 2.37784	Sterimol/B2: 3.87609	Sterimol/B3: 5.71665
Sterimol/B4: 8.55423	Sterimol/L: 14.7741

Surface and Volume Properties
Accessible surface: 619.133	Positive charged surface: 338.574	Negative charged surface: 280.56	Volume: 352.625
Hydrophobic surface: 571.699	Hydrophilic surface: 47.434

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs02168567
MAYBRIDGE-ZINC04336277