MMsINC Database Search


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MMsINC code: MMs02364662

Type: Neutral
Formula: C₁₄H₁₄N₂O₂S₂

SMILES:

S(=O)(=O)(Nc1ccc(cc1)C)c1cc(ccc1)C(=S)N

InChI:

InChI=1/C14H14N2O2S2/c1-10-5-7-12(8-6-10)16-20(17,18)13-4-2-3-11(9-13)14(15)19/h2-9,16H,1H3,(H2,15,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=47.8974 kcal/mol

Physical Properties
Molecular Weight: 306.41 g/mol	logS: -4.82615	SlogP: 2.43002	Reactive groups: 0

Topological Properties
Globularity: 0.174306	Sterimol/B1: 2.4056	Sterimol/B2: 4.03469	Sterimol/B3: 4.2975
Sterimol/B4: 7.16649	Sterimol/L: 14.7466

Surface and Volume Properties
Accessible surface: 515.623	Positive charged surface: 257.607	Negative charged surface: 258.015	Volume: 271.625
Hydrophobic surface: 305.712	Hydrophilic surface: 209.911

Pharmacophoric Properties
Hydrogen bond donors: 2	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.