MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs01528475

Type: Neutral
Formula: C₁₁H₁₅N₃O₃S

SMILES:

S(=O)(=O)(N1CCCC1)c1ccc(cc1)C(=O)NN

InChI:

InChI=1/C11H15N3O3S/c12-13-11(15)9-3-5-10(6-4-9)18(16,17)14-7-1-2-8-14/h3-6H,1-2,7-8,12H2,(H,13,15)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.7026 kcal/mol

Physical Properties
Molecular Weight: 269.325 g/mol	logS: -2.08287	SlogP: 0.0746	Reactive groups: 0

Topological Properties
Globularity: 0.120889	Sterimol/B1: 2.44196	Sterimol/B2: 3.60904	Sterimol/B3: 4.7804
Sterimol/B4: 5.42781	Sterimol/L: 14.498

Surface and Volume Properties
Accessible surface: 468.815	Positive charged surface: 292.423	Negative charged surface: 176.392	Volume: 237.125
Hydrophobic surface: 284.261	Hydrophilic surface: 184.554

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.