MMsINC Database Search


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MMsINC code: MMs00504397

Type: Neutral
Formula: C₁₅H₁₄N₂O₂S₂

SMILES:

s1c2cc(S(=O)(=O)Nc3ccccc3C)ccc2nc1C

InChI:

InChI=1/C15H14N2O2S2/c1-10-5-3-4-6-13(10)17-21(18,19)12-7-8-14-15(9-12)20-11(2)16-14/h3-9,17H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.6703 kcal/mol

Physical Properties
Molecular Weight: 318.421 g/mol	logS: -3.88459	SlogP: 3.71394	Reactive groups: 0

Topological Properties
Globularity: 0.192675	Sterimol/B1: 2.41724	Sterimol/B2: 4.97859	Sterimol/B3: 5.63169
Sterimol/B4: 6.54825	Sterimol/L: 13.6421

Surface and Volume Properties
Accessible surface: 517.365	Positive charged surface: 263.613	Negative charged surface: 253.753	Volume: 278.5
Hydrophobic surface: 420.4	Hydrophilic surface: 96.965

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

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Ions/Tautomers related molecules: no related molecules available.