MMsINC Database Search


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MMsINC code: MMs01222711

Type: Neutral
Formula: C₁₁H₁₇N₃O₃S

SMILES:

S(=O)(=O)(N(CC)CC)c1cc(ccc1)C(=O)NN

InChI:

InChI=1/C11H17N3O3S/c1-3-14(4-2)18(16,17)10-7-5-6-9(8-10)11(15)13-12/h5-8H,3-4,12H2,1-2H3,(H,13,15)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.2992 kcal/mol

Physical Properties
Molecular Weight: 271.341 g/mol	logS: -2.18491	SlogP: 0.3206	Reactive groups: 0

Topological Properties
Globularity: 0.0811245	Sterimol/B1: 2.42945	Sterimol/B2: 2.56604	Sterimol/B3: 5.22197
Sterimol/B4: 7.01036	Sterimol/L: 14.6513

Surface and Volume Properties
Accessible surface: 473.572	Positive charged surface: 280.25	Negative charged surface: 193.322	Volume: 245.875
Hydrophobic surface: 251.867	Hydrophilic surface: 221.705

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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.