MMsINC Database Search


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

MMsINC code: MMs02224713

Type: Neutral
Formula: C₂₄H₂₁NO

SMILES:

OC(Cc1nc2c(cc(cc2)C)cc1)(c1ccccc1)c1ccccc1

InChI:

InChI=1/C24H21NO/c1-18-12-15-23-19(16-18)13-14-22(25-23)17-24(26,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-16,26H,17H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.777 kcal/mol

Physical Properties
Molecular Weight: 339.438 g/mol	logS: -5.96855	SlogP: 5.33329	Reactive groups: 0

Topological Properties
Globularity: 0.159449	Sterimol/B1: 3.33275	Sterimol/B2: 4.18071	Sterimol/B3: 4.67924
Sterimol/B4: 6.37565	Sterimol/L: 17.1306

Surface and Volume Properties
Accessible surface: 597.764	Positive charged surface: 350.679	Negative charged surface: 242.46	Volume: 348.125
Hydrophobic surface: 567.934	Hydrophilic surface: 29.83

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.