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MMsINC code: MMs00689881

Type: Neutral
Formula: C₁₈H₁₉Cl₂N₃O₂

SMILES:

Clc1cc(NC(=O)N2CCN(CC2)c2ccccc2OC)ccc1Cl

InChI:

InChI=1/C18H19Cl2N3O2/c1-25-17-5-3-2-4-16(17)22-8-10-23(11-9-22)18(24)21-13-6-7-14(19)15(20)12-13/h2-7,12H,8-11H2,1H3,(H,21,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=142.379 kcal/mol

Physical Properties
Molecular Weight: 380.275 g/mol	logS: -4.71175	SlogP: 4.3561	Reactive groups: 0

Topological Properties
Globularity: 0.066917	Sterimol/B1: 2.26293	Sterimol/B2: 2.49186	Sterimol/B3: 4.78966
Sterimol/B4: 6.92673	Sterimol/L: 18.8219

Surface and Volume Properties
Accessible surface: 622.305	Positive charged surface: 371.52	Negative charged surface: 250.785	Volume: 338.875
Hydrophobic surface: 571.843	Hydrophilic surface: 50.462

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.