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MMsINC code: MMs03502264

Type: Neutral
Formula: C₁₈H₁₈Cl₂N₂O₃

SMILES:

Clc1cc(ccc1OC)C(=O)Nc1cc(Cl)ccc1N1CCOCC1

InChI:

InChI=1/C18H18Cl2N2O3/c1-24-17-5-2-12(10-14(17)20)18(23)21-15-11-13(19)3-4-16(15)22-6-8-25-9-7-22/h2-5,10-11H,6-9H2,1H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=159.722 kcal/mol

Physical Properties
Molecular Weight: 381.259 g/mol	logS: -5.09272	SlogP: 4.0909	Reactive groups: 0

Topological Properties
Globularity: 0.0578891	Sterimol/B1: 3.58114	Sterimol/B2: 3.78346	Sterimol/B3: 4.35295
Sterimol/B4: 7.89651	Sterimol/L: 15.615

Surface and Volume Properties
Accessible surface: 615.581	Positive charged surface: 363.022	Negative charged surface: 252.559	Volume: 333.375
Hydrophobic surface: 557.141	Hydrophilic surface: 58.44

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: no related molecules available.