MMsINC Database Search


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MMsINC code: MMs02218458

Type: Neutral
Formula: C₁₅H₂₅NO₂S

SMILES:

S(=O)(=O)(N(CC(C)C)CC(C)C)c1ccc(cc1)C

InChI:

InChI=1/C15H25NO2S/c1-12(2)10-16(11-13(3)4)19(17,18)15-8-6-14(5)7-9-15/h6-9,12-13H,10-11H2,1-5H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=38.9013 kcal/mol

Physical Properties
Molecular Weight: 283.436 g/mol	logS: -3.23386	SlogP: 3.29772	Reactive groups: 0

Topological Properties
Globularity: 0.17344	Sterimol/B1: 2.95116	Sterimol/B2: 3.24306	Sterimol/B3: 5.36653
Sterimol/B4: 6.63157	Sterimol/L: 14.1566

Surface and Volume Properties
Accessible surface: 513.149	Positive charged surface: 323.604	Negative charged surface: 189.545	Volume: 291.25
Hydrophobic surface: 397.823	Hydrophilic surface: 115.326

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.