MMsINC Database Search


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

MMsINC code: MMs03274320

Type: Neutral
Formula: C₁₈H₂₁NO₃

SMILES:

O(C)c1cc(OC)ccc1C(=O)N(Cc1ccccc1)CC

InChI:

InChI=1/C18H21NO3/c1-4-19(13-14-8-6-5-7-9-14)18(20)16-11-10-15(21-2)12-17(16)22-3/h5-12H,4,13H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.8157 kcal/mol

Physical Properties
Molecular Weight: 299.37 g/mol	logS: -3.62089	SlogP: 3.6325	Reactive groups: 0

Topological Properties
Globularity: 0.173658	Sterimol/B1: 2.29587	Sterimol/B2: 5.21754	Sterimol/B3: 5.30767
Sterimol/B4: 7.36371	Sterimol/L: 15.0366

Surface and Volume Properties
Accessible surface: 559.468	Positive charged surface: 396.561	Negative charged surface: 162.906	Volume: 304.5
Hydrophobic surface: 497.069	Hydrophilic surface: 62.399

Pharmacophoric Properties
Hydrogen bond donors: 0	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.