MMsINC Database Search


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MMsINC code: MMs00119193

Type: Neutral
Formula: C₁₅H₁₈N₂O₄S

SMILES:

S(=O)(=O)(N1CCCCC1)c1ccc(N2C(=O)CCC2=O)cc1

InChI:

InChI=1/C15H18N2O4S/c18-14-8-9-15(19)17(14)12-4-6-13(7-5-12)22(20,21)16-10-2-1-3-11-16/h4-7H,1-3,8-11H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=38.6001 kcal/mol

Physical Properties
Molecular Weight: 322.385 g/mol	logS: -2.44868	SlogP: 1.5146	Reactive groups: 0

Topological Properties
Globularity: 0.0797711	Sterimol/B1: 2.63058	Sterimol/B2: 3.6433	Sterimol/B3: 4.47373
Sterimol/B4: 5.13769	Sterimol/L: 16.0049

Surface and Volume Properties
Accessible surface: 534.257	Positive charged surface: 327.847	Negative charged surface: 206.41	Volume: 284.5
Hydrophobic surface: 401.28	Hydrophilic surface: 132.977

Pharmacophoric Properties
Hydrogen bond donors: 0	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.