MMsINC Database Search


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

MMsINC code: MMs00639581

Type: Neutral
Formula: C₂₁H₁₈N₂O₂S

SMILES:

S=C(Nc1ccc(Oc2ccccc2)cc1)NC(=O)Cc1ccccc1

InChI:

InChI=1/C21H18N2O2S/c24-20(15-16-7-3-1-4-8-16)23-21(26)22-17-11-13-19(14-12-17)25-18-9-5-2-6-10-18/h1-14H,15H2,(H2,22,23,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=151.42 kcal/mol

Physical Properties
Molecular Weight: 362.453 g/mol	logS: -6.66254	SlogP: 4.53457	Reactive groups: 0

Topological Properties
Globularity: 0.0432906	Sterimol/B1: 2.87169	Sterimol/B2: 2.97604	Sterimol/B3: 4.80151
Sterimol/B4: 6.0367	Sterimol/L: 20.7309

Surface and Volume Properties
Accessible surface: 642.771	Positive charged surface: 363.506	Negative charged surface: 279.265	Volume: 344
Hydrophobic surface: 533.928	Hydrophilic surface: 108.843

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: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.