MMsINC Database Search


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

MMsINC code: MMs02747095

Type: Neutral
Formula: C₂₆H₂₀N₂O₃

SMILES:

O(c1cc(NC(=O)c2ccccc2)ccc1)c1cc(NC(=O)c2ccccc2)ccc1

InChI:

InChI=1/C26H20N2O3/c29-25(19-9-3-1-4-10-19)27-21-13-7-15-23(17-21)31-24-16-8-14-22(18-24)28-26(30)20-11-5-2-6-12-20/h1-18H,(H,27,29)(H,28,30)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=137.418 kcal/mol

Physical Properties
Molecular Weight: 408.457 g/mol	logS: -7.10757	SlogP: 5.9835	Reactive groups: 0

Topological Properties
Globularity: 0.0557226	Sterimol/B1: 2.90953	Sterimol/B2: 4.28615	Sterimol/B3: 5.66274
Sterimol/B4: 8.33649	Sterimol/L: 20.622

Surface and Volume Properties
Accessible surface: 718.527	Positive charged surface: 381.381	Negative charged surface: 337.146	Volume: 394.125
Hydrophobic surface: 645.049	Hydrophilic surface: 73.478

Pharmacophoric Properties
Hydrogen bond donors: 2	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.