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MMsINC code: MMs03346181

Type: Neutral
Formula: C₁₈H₁₈ClNO

SMILES:

Clc1ccc(cc1)C(=O)N1CCC(CC1)c1ccccc1

InChI:

InChI=1/C18H18ClNO/c19-17-8-6-16(7-9-17)18(21)20-12-10-15(11-13-20)14-4-2-1-3-5-14/h1-9,15H,10-13H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.5698 kcal/mol

Physical Properties
Molecular Weight: 299.801 g/mol	logS: -4.41562	SlogP: 4.3598	Reactive groups: 0

Topological Properties
Globularity: 0.1229	Sterimol/B1: 3.10035	Sterimol/B2: 3.56775	Sterimol/B3: 4.1784
Sterimol/B4: 5.78814	Sterimol/L: 16.4238

Surface and Volume Properties
Accessible surface: 538.351	Positive charged surface: 295.369	Negative charged surface: 242.983	Volume: 289.875
Hydrophobic surface: 506.324	Hydrophilic surface: 32.027

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.