MMsINC Database Search


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

MMsINC code: MMs02617822

Type: Neutral
Formula: C₂₃H₂₃NO₂

SMILES:

O(Cc1ccc(cc1)C(=O)Nc1ccccc1CC)c1cc(ccc1)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.162 kcal/mol

Physical Properties
Molecular Weight: 345.442 g/mol	logS: -6.32276	SlogP: 5.65509	Reactive groups: 0

Topological Properties
Globularity: 0.0499579	Sterimol/B1: 2.47727	Sterimol/B2: 3.78597	Sterimol/B3: 4.50224
Sterimol/B4: 7.19059	Sterimol/L: 20.3965

Surface and Volume Properties
Accessible surface: 654.177	Positive charged surface: 383.087	Negative charged surface: 271.09	Volume: 359.875
Hydrophobic surface: 596.766	Hydrophilic surface: 57.411

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.