MMsINC Database Search


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MMsINC code: MMs03194376

Type: Neutral
Formula: C₁₂H₁₉N₃O₃S

SMILES:

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

InChI:

InChI=1/C12H19N3O3S/c1-13(2)12(16)10-15(19(17,18)14(3)4)11-8-6-5-7-9-11/h5-9H,10H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=34.2381 kcal/mol

Physical Properties
Molecular Weight: 285.368 g/mol	logS: -1.13789	SlogP: 0.3876	Reactive groups: 0

Topological Properties
Globularity: 0.259475	Sterimol/B1: 2.1914	Sterimol/B2: 3.68631	Sterimol/B3: 6.20304
Sterimol/B4: 6.63057	Sterimol/L: 12.2094

Surface and Volume Properties
Accessible surface: 484.879	Positive charged surface: 358.487	Negative charged surface: 126.392	Volume: 266.875
Hydrophobic surface: 416.94	Hydrophilic surface: 67.939

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.