MMsINC Database Search


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MMsINC code: MMs03027005

Type: Neutral
Formula: C₁₀H₁₂N₂O₂S

SMILES:

S1(=O)(=O)N(C)C(=NCc2c1cccc2)C

InChI:

InChI=1/C10H12N2O2S/c1-8-11-7-9-5-3-4-6-10(9)15(13,14)12(8)2/h3-6H,7H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=35.4408 kcal/mol

Physical Properties
Molecular Weight: 224.284 g/mol	logS: -1.9286	SlogP: 1.5055	Reactive groups: 0

Topological Properties
Globularity: 0.153287	Sterimol/B1: 2.52237	Sterimol/B2: 3.23909	Sterimol/B3: 4.86698
Sterimol/B4: 5.27087	Sterimol/L: 11.4584

Surface and Volume Properties
Accessible surface: 393.457	Positive charged surface: 230.43	Negative charged surface: 163.027	Volume: 198.25
Hydrophobic surface: 312.85	Hydrophilic surface: 80.607

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.