MMsINC Database Search


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

MMsINC code: MMs03160596

Type: Neutral
Formula: C₂₄H₂₂N₂O₂

SMILES:

O(c1cc(ccc1)C)c1cc2cc([nH]c2cc1)C(=O)NC(C)c1ccccc1

InChI:

InChI=1/C24H22N2O2/c1-16-7-6-10-20(13-16)28-21-11-12-22-19(14-21)15-23(26-22)24(27)25-17(2)18-8-4-3-5-9-18/h3-15,17,26H,1-2H3,(H,25,27)/t17-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.2951 kcal/mol

Physical Properties
Molecular Weight: 370.452 g/mol	logS: -6.32557	SlogP: 5.85512	Reactive groups: 0

Topological Properties
Globularity: 0.0374404	Sterimol/B1: 3.32538	Sterimol/B2: 4.22938	Sterimol/B3: 4.2674
Sterimol/B4: 4.53218	Sterimol/L: 21.515

Surface and Volume Properties
Accessible surface: 685.091	Positive charged surface: 380.95	Negative charged surface: 298.533	Volume: 370.75
Hydrophobic surface: 605.787	Hydrophilic surface: 79.304

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.