MMsINC Database Search


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MMsINC code: MMs00079170

Type: Neutral
Formula: C₁₄H₁₄N₂O₃S

SMILES:

S(=O)(=O)(N)c1ccc(NC(=O)c2cc(ccc2)C)cc1

InChI:

InChI=1/C14H14N2O3S/c1-10-3-2-4-11(9-10)14(17)16-12-5-7-13(8-6-12)20(15,18)19/h2-9H,1H3,(H,16,17)(H2,15,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=45.1967 kcal/mol

Physical Properties
Molecular Weight: 290.343 g/mol	logS: -4.0554	SlogP: 1.89472	Reactive groups: 0

Topological Properties
Globularity: 0.0226947	Sterimol/B1: 2.30825	Sterimol/B2: 3.11434	Sterimol/B3: 3.14764
Sterimol/B4: 5.85808	Sterimol/L: 16.8881

Surface and Volume Properties
Accessible surface: 511.43	Positive charged surface: 266.025	Negative charged surface: 245.406	Volume: 258.125
Hydrophobic surface: 342.851	Hydrophilic surface: 168.579

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

MMs00079171
ASINEX-ZINC00125489