MMsINC Database Search


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MMsINC code: MMs00486135

Type: Neutral
Formula: C₁₀H₁₂N₂O₃S

SMILES:

S(CC(=O)Nc1cc(OC)ccc1)C(=O)N

InChI:

InChI=1/C10H12N2O3S/c1-15-8-4-2-3-7(5-8)12-9(13)6-16-10(11)14/h2-5H,6H2,1H3,(H2,11,14)(H,12,13)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=37.485 kcal/mol

Physical Properties
Molecular Weight: 240.283 g/mol	logS: -2.96375	SlogP: 1.4456	Reactive groups: 0

Topological Properties
Globularity: 0.0160711	Sterimol/B1: 2.30546	Sterimol/B2: 2.89758	Sterimol/B3: 3.12684
Sterimol/B4: 4.93556	Sterimol/L: 16.7136

Surface and Volume Properties
Accessible surface: 454.183	Positive charged surface: 293.432	Negative charged surface: 160.751	Volume: 212.875
Hydrophobic surface: 252.25	Hydrophilic surface: 201.933

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.