MMsINC Database Search


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

MMsINC code: MMs00651486

Type: Neutral
Formula: C₂₄H₁₈N₂O₂

SMILES:

O=C(c1cc([nH]c1NC(=O)c1ccccc1)-c1ccccc1)c1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.745 kcal/mol

Physical Properties
Molecular Weight: 366.42 g/mol	logS: -6.57734	SlogP: 5.165	Reactive groups: 0

Topological Properties
Globularity: 0.00983454	Sterimol/B1: 2.53954	Sterimol/B2: 2.66077	Sterimol/B3: 2.96744
Sterimol/B4: 12.2061	Sterimol/L: 16.4377

Surface and Volume Properties
Accessible surface: 631.873	Positive charged surface: 312.362	Negative charged surface: 319.511	Volume: 357.375
Hydrophobic surface: 561.965	Hydrophilic surface: 69.908

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.