MMsINC Database Search


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

MMsINC code: MMs01253724

Type: Neutral
Formula: C₂₄H₂₀N₂O₂

SMILES:

O(CC(=O)NC(c1ccccc1)c1ccccc1)c1c2ncccc2ccc1

InChI:

InChI=1/C24H20N2O2/c27-22(17-28-21-15-7-13-20-14-8-16-25-24(20)21)26-23(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-16,23H,17H2,(H,26,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=116.573 kcal/mol

Physical Properties
Molecular Weight: 368.436 g/mol	logS: -5.73217	SlogP: 4.6149	Reactive groups: 0

Topological Properties
Globularity: 0.0957028	Sterimol/B1: 2.19439	Sterimol/B2: 3.40697	Sterimol/B3: 5.54573
Sterimol/B4: 8.65758	Sterimol/L: 17.5962

Surface and Volume Properties
Accessible surface: 665.557	Positive charged surface: 379.003	Negative charged surface: 281.275	Volume: 365.75
Hydrophobic surface: 605.169	Hydrophilic surface: 60.388

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.