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MMsINC code: MMs00864540

Type: Neutral
Formula: C₁₄H₂₀N₂O₃S

SMILES:

S(=O)(=O)(N)c1ccc(cc1)CNC(=O)C1CCCCC1

InChI:

InChI=1/C14H20N2O3S/c15-20(18,19)13-8-6-11(7-9-13)10-16-14(17)12-4-2-1-3-5-12/h6-9,12H,1-5,10H2,(H,16,17)(H2,15,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=1.80002 kcal/mol

Physical Properties
Molecular Weight: 296.391 g/mol	logS: -3.61214	SlogP: 1.7969	Reactive groups: 0

Topological Properties
Globularity: 0.0548487	Sterimol/B1: 2.85614	Sterimol/B2: 3.00406	Sterimol/B3: 4.43174
Sterimol/B4: 5.48822	Sterimol/L: 17.0949

Surface and Volume Properties
Accessible surface: 535.998	Positive charged surface: 343.929	Negative charged surface: 192.069	Volume: 275.375
Hydrophobic surface: 360.905	Hydrophilic surface: 175.093

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs00864541
CHEMDIV-ZINC01228634