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MMsINC code: MMs02888640

Type: Neutral
Formula: C₁₄H₂₀N₂O₅S

SMILES:

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

InChI:

InChI=1/C14H20N2O5S/c1-11(17)16-12-6-8-13(9-7-12)22(20,21)15-10-4-2-3-5-14(18)19/h6-9,15H,2-5,10H2,1H3,(H,16,17)(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=17.0531 kcal/mol

Physical Properties
Molecular Weight: 328.389 g/mol	logS: -1.91538	SlogP: 1.5683	Reactive groups: 0

Topological Properties
Globularity: 0.0437129	Sterimol/B1: 2.47506	Sterimol/B2: 2.74999	Sterimol/B3: 4.08069
Sterimol/B4: 7.91928	Sterimol/L: 19.2581

Surface and Volume Properties
Accessible surface: 594.067	Positive charged surface: 362.381	Negative charged surface: 231.686	Volume: 292.875
Hydrophobic surface: 358.672	Hydrophilic surface: 235.395

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 5	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

MMs02888641
PUBCHEM-ZINC02471987