MMsINC Database Search


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MMsINC code: MMs02871513

Type: Neutral
Formula: C₁₄H₂₀N₂O₄S

SMILES:

S(=O)(=O)(NC(=O)C)c1ccc(NC(=O)CCCCC)cc1

InChI:

InChI=1/C14H20N2O4S/c1-3-4-5-6-14(18)15-12-7-9-13(10-8-12)21(19,20)16-11(2)17/h7-10H,3-6H2,1-2H3,(H,15,18)(H,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=8.05393 kcal/mol

Physical Properties
Molecular Weight: 312.39 g/mol	logS: -3.7743	SlogP: 2.0302	Reactive groups: 0

Topological Properties
Globularity: 0.0376803	Sterimol/B1: 3.49403	Sterimol/B2: 3.63524	Sterimol/B3: 4.31222
Sterimol/B4: 4.54182	Sterimol/L: 19.2854

Surface and Volume Properties
Accessible surface: 573.689	Positive charged surface: 360.758	Negative charged surface: 212.93	Volume: 290.125
Hydrophobic surface: 396.868	Hydrophilic surface: 176.821

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

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Ions/Tautomers related molecules: no related molecules available.