MMsINC Database Search


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

MMsINC code: MMs00696135

Type: Neutral
Formula: C₁₉H₂₃NO₂

SMILES:

O(CCCC(=O)Nc1ccc(cc1)CC)c1ccccc1C

InChI:

InChI=1/C19H23NO2/c1-3-16-10-12-17(13-11-16)20-19(21)9-6-14-22-18-8-5-4-7-15(18)2/h4-5,7-8,10-13H,3,6,9,14H2,1-2H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.7465 kcal/mol

Physical Properties
Molecular Weight: 297.398 g/mol	logS: -4.66499	SlogP: 4.35509	Reactive groups: 0

Topological Properties
Globularity: 0.0163374	Sterimol/B1: 2.3598	Sterimol/B2: 3.87707	Sterimol/B3: 4.08517
Sterimol/B4: 4.63085	Sterimol/L: 20.83

Surface and Volume Properties
Accessible surface: 612.798	Positive charged surface: 407.238	Negative charged surface: 205.56	Volume: 314.625
Hydrophobic surface: 546.489	Hydrophilic surface: 66.309

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.