MMsINC Database Search


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

MMsINC code: MMs00507624

Type: Neutral
Formula: C₂₃H₁₈N₂O₄

SMILES:

Oc1ccc(NC(=O)c2cc3c(cc2)C(=O)N(C3=O)c2cc(C)c(cc2)C)cc1

InChI:

InChI=1/C23H18N2O4/c1-13-3-7-17(11-14(13)2)25-22(28)19-10-4-15(12-20(19)23(25)29)21(27)24-16-5-8-18(26)9-6-16/h3-12,26H,1-2H3,(H,24,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=123.832 kcal/mol

Physical Properties
Molecular Weight: 386.407 g/mol	logS: -6.31447	SlogP: 4.06194	Reactive groups: 0

Topological Properties
Globularity: 0.00615836	Sterimol/B1: 2.63767	Sterimol/B2: 2.78039	Sterimol/B3: 3.24068
Sterimol/B4: 5.68558	Sterimol/L: 21.7444

Surface and Volume Properties
Accessible surface: 648.212	Positive charged surface: 353.369	Negative charged surface: 294.842	Volume: 357.625
Hydrophobic surface: 491.673	Hydrophilic surface: 156.539

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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.