MMsINC Database Search


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

MMsINC code: MMs01817287

Type: Neutral
Formula: C₁₉H₂₅ClN₂O₂

SMILES:

Clc1ccccc1-c1noc(C)c1C(=O)N(CCCC)CCCC

InChI:

InChI=1/C19H25ClN2O2/c1-4-6-12-22(13-7-5-2)19(23)17-14(3)24-21-18(17)15-10-8-9-11-16(15)20/h8-11H,4-7,12-13H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.6295 kcal/mol

Physical Properties
Molecular Weight: 348.874 g/mol	logS: -5.60263	SlogP: 5.34582	Reactive groups: 0

Topological Properties
Globularity: 0.319931	Sterimol/B1: 4.33788	Sterimol/B2: 4.96585	Sterimol/B3: 5.25144
Sterimol/B4: 6.02945	Sterimol/L: 15.0626

Surface and Volume Properties
Accessible surface: 587.927	Positive charged surface: 354.577	Negative charged surface: 233.35	Volume: 349.125
Hydrophobic surface: 506.499	Hydrophilic surface: 81.428

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 1	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.