MMsINC Database Search


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

MMsINC code: MMs02784789

Type: Neutral
Formula: C₂₄H₁₈N₂O₂

SMILES:

O=C(Nc1ccc(NC(=O)c2ccccc2)cc1)c1c2c(ccc1)cccc2

InChI:

InChI=1/C24H18N2O2/c27-23(18-8-2-1-3-9-18)25-19-13-15-20(16-14-19)26-24(28)22-12-6-10-17-7-4-5-11-21(17)22/h1-16H,(H,25,27)(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=134.036 kcal/mol

Physical Properties
Molecular Weight: 366.42 g/mol	logS: -7.20274	SlogP: 5.3444	Reactive groups: 0

Topological Properties
Globularity: 0.0220218	Sterimol/B1: 3.19104	Sterimol/B2: 3.48055	Sterimol/B3: 4.52894
Sterimol/B4: 5.23666	Sterimol/L: 21.0456

Surface and Volume Properties
Accessible surface: 640.087	Positive charged surface: 331.704	Negative charged surface: 297.275	Volume: 355.375
Hydrophobic surface: 576.947	Hydrophilic surface: 63.14

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.