MMsINC Database Search


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

MMsINC code: MMs02720122

Type: Neutral
Formula: C₂₆H₂₄N₂O₂

SMILES:

O(C)c1ccc(cc1)C(NC(=O)c1cc(nc2c1cccc2)-c1cc(ccc1)C)C

InChI:

InChI=1/C26H24N2O2/c1-17-7-6-8-20(15-17)25-16-23(22-9-4-5-10-24(22)28-25)26(29)27-18(2)19-11-13-21(30-3)14-12-19/h4-16,18H,1-3H3,(H,27,29)/t18-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=116.791 kcal/mol

Physical Properties
Molecular Weight: 396.49 g/mol	logS: -7.13414	SlogP: 5.80532	Reactive groups: 0

Topological Properties
Globularity: 0.0447559	Sterimol/B1: 2.92461	Sterimol/B2: 3.16123	Sterimol/B3: 4.06996
Sterimol/B4: 11.2135	Sterimol/L: 16.498

Surface and Volume Properties
Accessible surface: 700.333	Positive charged surface: 413.136	Negative charged surface: 277.026	Volume: 400.25
Hydrophobic surface: 628.322	Hydrophilic surface: 72.011

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