MMsINC Database Search


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

MMsINC code: MMs02333678

Type: Neutral
Formula: C₂₄H₁₈N₂O₂S

SMILES:

s1cccc1/C(=N/OC(=O)N(c1ccccc1)c1ccccc1)/c1ccccc1

InChI:

InChI=1/C24H18N2O2S/c27-24(26(20-13-6-2-7-14-20)21-15-8-3-9-16-21)28-25-23(22-17-10-18-29-22)19-11-4-1-5-12-19/h1-18H/b25-23-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=195.668 kcal/mol

Physical Properties
Molecular Weight: 398.486 g/mol	logS: -7.17064	SlogP: 6.4754	Reactive groups: 0

Topological Properties
Globularity: 0.0395291	Sterimol/B1: 3.43008	Sterimol/B2: 3.73508	Sterimol/B3: 3.76542
Sterimol/B4: 8.46002	Sterimol/L: 16.6773

Surface and Volume Properties
Accessible surface: 633.803	Positive charged surface: 329.246	Negative charged surface: 304.558	Volume: 379.5
Hydrophobic surface: 596.144	Hydrophilic surface: 37.659

Pharmacophoric Properties
Hydrogen bond donors: 0	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.