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MMsINC code: MMs00828152

Type: Neutral
Formula: C₂₃H₂₀Cl₂N₂O

SMILES:

Clc1c(NC(=O)c2ccc(cc2)CN2CCc3c(C2)cccc3)cccc1Cl

InChI:

InChI=1/C23H20Cl2N2O/c24-20-6-3-7-21(22(20)25)26-23(28)18-10-8-16(9-11-18)14-27-13-12-17-4-1-2-5-19(17)15-27/h1-11H,12-15H2,(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.079 kcal/mol

Physical Properties
Molecular Weight: 411.332 g/mol	logS: -6.64667	SlogP: 6.33677	Reactive groups: 0

Topological Properties
Globularity: 0.0470936	Sterimol/B1: 2.29024	Sterimol/B2: 2.98376	Sterimol/B3: 4.65963
Sterimol/B4: 7.59004	Sterimol/L: 18.5899

Surface and Volume Properties
Accessible surface: 677.55	Positive charged surface: 348.939	Negative charged surface: 328.611	Volume: 381
Hydrophobic surface: 634.616	Hydrophilic surface: 42.934

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

MMs00828153
CHEMBRIDGE-ZINC05022868