MMsINC Database Search


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

MMsINC code: MMs02248867

Type: Neutral
Formula: C₂₃H₂₁NO₂

SMILES:

O=C(N(C(=O)C)c1ccc(cc1)C)C(c1ccccc1)c1ccccc1

InChI:

InChI=1/C23H21NO2/c1-17-13-15-21(16-14-17)24(18(2)25)23(26)22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-16,22H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=313.69 kcal/mol

Physical Properties
Molecular Weight: 343.426 g/mol	logS: -5.8214	SlogP: 4.70662	Reactive groups: 0

Topological Properties
Globularity: 0.157628	Sterimol/B1: 3.19166	Sterimol/B2: 4.28813	Sterimol/B3: 5.01694
Sterimol/B4: 7.74427	Sterimol/L: 14.6335

Surface and Volume Properties
Accessible surface: 556.975	Positive charged surface: 332.384	Negative charged surface: 224.591	Volume: 338.125
Hydrophobic surface: 512.497	Hydrophilic surface: 44.478

Pharmacophoric Properties
Hydrogen bond donors: 0	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.