MMsINC Database Search


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

MMsINC code: MMs00666225

Type: Neutral
Formula: C₂₄H₂₅NO₂

SMILES:

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

InChI:

InChI=1/C24H25NO2/c1-4-20-7-5-6-8-23(20)25-24(26)21-12-10-19(11-13-21)16-27-22-14-9-17(2)18(3)15-22/h5-15H,4,16H2,1-3H3,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=112.202 kcal/mol

Physical Properties
Molecular Weight: 359.469 g/mol	logS: -6.79668	SlogP: 5.96351	Reactive groups: 0

Topological Properties
Globularity: 0.0430286	Sterimol/B1: 2.47546	Sterimol/B2: 3.80393	Sterimol/B3: 4.47237
Sterimol/B4: 7.16367	Sterimol/L: 21.3045

Surface and Volume Properties
Accessible surface: 676.321	Positive charged surface: 399.016	Negative charged surface: 277.306	Volume: 373.75
Hydrophobic surface: 618.911	Hydrophilic surface: 57.41

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.