MMsINC Database Search


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

MMsINC code: MMs01733183

Type: Neutral
Formula: C₁₅H₁₀N₂O₂S

SMILES:

S1(=O)(=O)Nc2c(-c3c1cccc3)ccc1c2nccc1

InChI:

InChI=1/C15H10N2O2S/c18-20(19)13-6-2-1-5-11(13)12-8-7-10-4-3-9-16-14(10)15(12)17-20/h1-9,17H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.2696 kcal/mol

Physical Properties
Molecular Weight: 282.323 g/mol	logS: -4.41614	SlogP: 3.016	Reactive groups: 0

Topological Properties
Globularity: 0.0162415	Sterimol/B1: 2.097	Sterimol/B2: 3.03739	Sterimol/B3: 3.75612
Sterimol/B4: 6.56021	Sterimol/L: 14.3234

Surface and Volume Properties
Accessible surface: 451.741	Positive charged surface: 216.736	Negative charged surface: 220.019	Volume: 240.75
Hydrophobic surface: 344.909	Hydrophilic surface: 106.832

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.