MMsINC Database Search


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MMsINC code: MMs01243983

Type: Neutral
Formula: C₁₁H₁₄N₂OS₂

SMILES:

S(CC(=O)Nc1ccccc1)C(=S)N(C)C

InChI:

InChI=1/C11H14N2OS2/c1-13(2)11(15)16-8-10(14)12-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,12,14)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.0093 kcal/mol

Physical Properties
Molecular Weight: 254.378 g/mol	logS: -4.17329	SlogP: 2.2048	Reactive groups: 0

Topological Properties
Globularity: 0.0182053	Sterimol/B1: 2.72153	Sterimol/B2: 2.86044	Sterimol/B3: 3.79451
Sterimol/B4: 4.61898	Sterimol/L: 16.1818

Surface and Volume Properties
Accessible surface: 483.309	Positive charged surface: 306.39	Negative charged surface: 176.919	Volume: 238.125
Hydrophobic surface: 359.537	Hydrophilic surface: 123.772

Pharmacophoric Properties
Hydrogen bond donors: 1	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

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Ions/Tautomers related molecules: no related molecules available.