MMsINC Database Search


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MMsINC code: MMs03831716

Type: Neutral
Formula: C₁₅H₂₅NO₃S

SMILES:

S(=O)(=O)(NCCCCC)c1c(C)c(C)c(OC)cc1C

InChI:

InChI=1/C15H25NO3S/c1-6-7-8-9-16-20(17,18)15-11(2)10-14(19-5)12(3)13(15)4/h10,16H,6-9H2,1-5H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.6521 kcal/mol

Physical Properties
Molecular Weight: 299.435 g/mol	logS: -3.31407	SlogP: 3.08896	Reactive groups: 0

Topological Properties
Globularity: 0.123095	Sterimol/B1: 3.11089	Sterimol/B2: 3.85902	Sterimol/B3: 5.59386
Sterimol/B4: 6.33315	Sterimol/L: 15.4129

Surface and Volume Properties
Accessible surface: 556.747	Positive charged surface: 392.639	Negative charged surface: 164.109	Volume: 294.375
Hydrophobic surface: 464.88	Hydrophilic surface: 91.867

Pharmacophoric Properties
Hydrogen bond donors: 1	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.