MMsINC Database Search


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MMsINC code: MMs00108912

Type: Neutral
Formula: C₁₄H₁₉NO₄S

SMILES:

S(=O)(=O)(N1CCC(CC1)C)c1ccc(cc1)C(OC)=O

InChI:

InChI=1/C14H19NO4S/c1-11-7-9-15(10-8-11)20(17,18)13-5-3-12(4-6-13)14(16)19-2/h3-6,11H,7-10H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=38.3425 kcal/mol

Physical Properties
Molecular Weight: 297.375 g/mol	logS: -2.94954	SlogP: 1.8938	Reactive groups: 0

Topological Properties
Globularity: 0.0676396	Sterimol/B1: 2.53994	Sterimol/B2: 3.40663	Sterimol/B3: 4.40271
Sterimol/B4: 5.38947	Sterimol/L: 16.7018

Surface and Volume Properties
Accessible surface: 523.442	Positive charged surface: 355.597	Negative charged surface: 167.846	Volume: 273.375
Hydrophobic surface: 409.841	Hydrophilic surface: 113.601

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.