MMsINC Database Search


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MMsINC code: MMs02948574

Type: Neutral
Formula: C₁₅H₂₅NO₃S

SMILES:

S(=O)(=O)(N(CCCC)CCCC)c1ccc(OC)cc1

InChI:

InChI=1/C15H25NO3S/c1-4-6-12-16(13-7-5-2)20(17,18)15-10-8-14(19-3)9-11-15/h8-11H,4-7,12-13H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=28.715 kcal/mol

Physical Properties
Molecular Weight: 299.435 g/mol	logS: -3.43722	SlogP: 3.2861	Reactive groups: 0

Topological Properties
Globularity: 0.0956007	Sterimol/B1: 2.51191	Sterimol/B2: 2.56009	Sterimol/B3: 5.53277
Sterimol/B4: 9.01591	Sterimol/L: 16.2768

Surface and Volume Properties
Accessible surface: 561.529	Positive charged surface: 394.536	Negative charged surface: 166.993	Volume: 300.375
Hydrophobic surface: 455.088	Hydrophilic surface: 106.441

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.