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MMsINC code: MMs01511936

Type: Neutral
Formula: C₁₈H₂₆ClNO₂

SMILES:

Clc1cc(C)c(OC(C(=O)NC2CCCCCCC2)C)cc1

InChI:

InChI=1/C18H26ClNO2/c1-13-12-15(19)10-11-17(13)22-14(2)18(21)20-16-8-6-4-3-5-7-9-16/h10-12,14,16H,3-9H2,1-2H3,(H,20,21)/t14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=119.7 kcal/mol

Physical Properties
Molecular Weight: 323.864 g/mol	logS: -5.33138	SlogP: 4.64482	Reactive groups: 0

Topological Properties
Globularity: 0.0901177	Sterimol/B1: 2.13899	Sterimol/B2: 4.00571	Sterimol/B3: 4.02626
Sterimol/B4: 6.58286	Sterimol/L: 17.1669

Surface and Volume Properties
Accessible surface: 589.857	Positive charged surface: 359.806	Negative charged surface: 230.05	Volume: 323.375
Hydrophobic surface: 535.505	Hydrophilic surface: 54.352

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.