MMsINC Database Search


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MMsINC code: MMs01701230

Type: Neutral
Formula: C₁₈H₁₈ClFN₂O₂

SMILES:

Clc1cccc(F)c1CC(=O)Nc1ccc(N2CCOCC2)cc1

InChI:

InChI=1/C18H18ClFN2O2/c19-16-2-1-3-17(20)15(16)12-18(23)21-13-4-6-14(7-5-13)22-8-10-24-11-9-22/h1-7H,8-12H2,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=144.063 kcal/mol

Physical Properties
Molecular Weight: 348.805 g/mol	logS: -4.6645	SlogP: 3.49687	Reactive groups: 0

Topological Properties
Globularity: 0.0557157	Sterimol/B1: 2.56269	Sterimol/B2: 3.21633	Sterimol/B3: 5.53772
Sterimol/B4: 5.77067	Sterimol/L: 17.2373

Surface and Volume Properties
Accessible surface: 583.528	Positive charged surface: 357.271	Negative charged surface: 226.257	Volume: 313.5
Hydrophobic surface: 523.425	Hydrophilic surface: 60.103

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.