MMsINC Database Search


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

MMsINC code: MMs00795362

Type: Neutral
Formula: C₂₃H₂₃NO₂

SMILES:

O(Cc1ccc(cc1)C(=O)Nc1cc(cc(c1)C)C)c1cc(ccc1)C

InChI:

InChI=1/C23H23NO2/c1-16-5-4-6-22(14-16)26-15-19-7-9-20(10-8-19)23(25)24-21-12-17(2)11-18(3)13-21/h4-14H,15H2,1-3H3,(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.229 kcal/mol

Physical Properties
Molecular Weight: 345.442 g/mol	logS: -6.59491	SlogP: 5.70956	Reactive groups: 0

Topological Properties
Globularity: 0.0323197	Sterimol/B1: 2.42351	Sterimol/B2: 3.28421	Sterimol/B3: 5.04691
Sterimol/B4: 6.01758	Sterimol/L: 20.3635

Surface and Volume Properties
Accessible surface: 671.092	Positive charged surface: 394.849	Negative charged surface: 276.244	Volume: 359.375
Hydrophobic surface: 625.524	Hydrophilic surface: 45.568

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: 1	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.