MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs00136649

Type: Neutral
Formula: C₁₈H₁₉ClN₂O₃

SMILES:

Clc1cc(ccc1OC)C(=O)Nc1ccccc1N1CCOCC1

InChI:

InChI=1/C18H19ClN2O3/c1-23-17-7-6-13(12-14(17)19)18(22)20-15-4-2-3-5-16(15)21-8-10-24-11-9-21/h2-7,12H,8-11H2,1H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=162.34 kcal/mol

Physical Properties
Molecular Weight: 346.814 g/mol	logS: -4.35843	SlogP: 3.4375	Reactive groups: 0

Topological Properties
Globularity: 0.061506	Sterimol/B1: 3.66825	Sterimol/B2: 3.69699	Sterimol/B3: 4.44441
Sterimol/B4: 6.64257	Sterimol/L: 15.657

Surface and Volume Properties
Accessible surface: 580.524	Positive charged surface: 378.698	Negative charged surface: 201.827	Volume: 319.875
Hydrophobic surface: 523.614	Hydrophilic surface: 56.91

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.