MMsINC Database Search


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

MMsINC code: MMs00696794

Type: Neutral
Formula: C₁₉H₂₃NO₂

SMILES:

O(CCCC)c1ccc(NC(=O)c2cc(C)c(cc2)C)cc1

InChI:

InChI=1/C19H23NO2/c1-4-5-12-22-18-10-8-17(9-11-18)20-19(21)16-7-6-14(2)15(3)13-16/h6-11,13H,4-5,12H2,1-3H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.8767 kcal/mol

Physical Properties
Molecular Weight: 297.398 g/mol	logS: -5.39729	SlogP: 4.73464	Reactive groups: 0

Topological Properties
Globularity: 0.01308	Sterimol/B1: 2.7826	Sterimol/B2: 2.89992	Sterimol/B3: 3.34947
Sterimol/B4: 5.75327	Sterimol/L: 20.2573

Surface and Volume Properties
Accessible surface: 607.19	Positive charged surface: 389.89	Negative charged surface: 217.301	Volume: 312.875
Hydrophobic surface: 538.962	Hydrophilic surface: 68.228

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.