MMsINC Database Search


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MMsINC code: MMs02664499

Type: Neutral
Formula: C₁₀H₁₅N₃O₃S

SMILES:

S(=O)(=O)(N(CC(=O)N)c1ccccc1)N(C)C

InChI:

InChI=1/C10H15N3O3S/c1-12(2)17(15,16)13(8-10(11)14)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H2,11,14)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=21.9809 kcal/mol

Physical Properties
Molecular Weight: 257.314 g/mol	logS: -1.34987	SlogP: -0.2153	Reactive groups: 0

Topological Properties
Globularity: 0.243941	Sterimol/B1: 2.00902	Sterimol/B2: 3.82687	Sterimol/B3: 3.8804
Sterimol/B4: 8.89571	Sterimol/L: 11.8793

Surface and Volume Properties
Accessible surface: 447.491	Positive charged surface: 308.618	Negative charged surface: 138.873	Volume: 231.25
Hydrophobic surface: 299.635	Hydrophilic surface: 147.856

Pharmacophoric Properties
Hydrogen bond donors: 1	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.