MMsINC Database Search


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MMsINC code: MMs02709711

Type: Neutral
Formula: C₁₃H₁₂N₂O₃S

SMILES:

S(=O)(=O)(Nc1ccc(cc1)C(=O)N)c1ccccc1

InChI:

InChI=1/C13H12N2O3S/c14-13(16)10-6-8-11(9-7-10)15-19(17,18)12-4-2-1-3-5-12/h1-9,15H,(H2,14,16)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=37.0197 kcal/mol

Physical Properties
Molecular Weight: 276.316 g/mol	logS: -3.29884	SlogP: 1.5863	Reactive groups: 0

Topological Properties
Globularity: 0.131462	Sterimol/B1: 2.46438	Sterimol/B2: 3.27316	Sterimol/B3: 3.8999
Sterimol/B4: 6.8428	Sterimol/L: 13.4301

Surface and Volume Properties
Accessible surface: 464.44	Positive charged surface: 244.391	Negative charged surface: 220.049	Volume: 243.25
Hydrophobic surface: 279.503	Hydrophilic surface: 184.937

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.