MMsINC Database Search


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MMsINC code: MMs02254988

Type: Neutral
Formula: C₁₅H₁₆N₂O₃S

SMILES:

S(=O)(=O)(N(N(C(=O)c1ccccc1)C)C)c1ccccc1

InChI:

InChI=1/C15H16N2O3S/c1-16(15(18)13-9-5-3-6-10-13)17(2)21(19,20)14-11-7-4-8-12-14/h3-12H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=188.043 kcal/mol

Physical Properties
Molecular Weight: 304.37 g/mol	logS: -3.06327	SlogP: 1.9943	Reactive groups: 0

Topological Properties
Globularity: 0.419797	Sterimol/B1: 3.41312	Sterimol/B2: 4.27669	Sterimol/B3: 5.38396
Sterimol/B4: 5.53873	Sterimol/L: 11.2191

Surface and Volume Properties
Accessible surface: 462.272	Positive charged surface: 284.263	Negative charged surface: 178.009	Volume: 270.75
Hydrophobic surface: 384.203	Hydrophilic surface: 78.069

Pharmacophoric Properties
Hydrogen bond donors: 0	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.