MMsINC Database Search


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MMsINC code: MMs00088968

Type: Neutral
Formula: C₁₄H₁₄N₂O₃S

SMILES:

S(=O)(=O)(N)c1cc(ccc1)C(=O)NCc1ccccc1

InChI:

InChI=1/C14H14N2O3S/c15-20(18,19)13-8-4-7-12(9-13)14(17)16-10-11-5-2-1-3-6-11/h1-9H,10H2,(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)=20.4674 kcal/mol

Physical Properties
Molecular Weight: 290.343 g/mol	logS: -3.52552	SlogP: 1.5304	Reactive groups: 0

Topological Properties
Globularity: 0.0617154	Sterimol/B1: 3.58487	Sterimol/B2: 3.87132	Sterimol/B3: 3.93742
Sterimol/B4: 4.70326	Sterimol/L: 16.3286

Surface and Volume Properties
Accessible surface: 524.265	Positive charged surface: 270.385	Negative charged surface: 253.879	Volume: 259.5
Hydrophobic surface: 344.086	Hydrophilic surface: 180.179

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

MMs00088969
ASINEX-ZINC00191813