MMsINC Database Search


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MMsINC code: MMs01055320

Type: Neutral
Formula: C₁₉H₂₅N₃O₃S

SMILES:

S(=O)(=O)(N1CCCCC1)c1cc([nH]c1)C(=O)NCCc1cc(ccc1)C

InChI:

InChI=1/C19H25N3O3S/c1-15-6-5-7-16(12-15)8-9-20-19(23)18-13-17(14-21-18)26(24,25)22-10-3-2-4-11-22/h5-7,12-14,21H,2-4,8-11H2,1H3,(H,20,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=39.4105 kcal/mol

Physical Properties
Molecular Weight: 375.493 g/mol	logS: -3.09815	SlogP: 2.47019	Reactive groups: 0

Topological Properties
Globularity: 0.0392293	Sterimol/B1: 2.18013	Sterimol/B2: 3.01909	Sterimol/B3: 4.45051
Sterimol/B4: 6.97965	Sterimol/L: 20.2912

Surface and Volume Properties
Accessible surface: 664.899	Positive charged surface: 421.481	Negative charged surface: 243.418	Volume: 355.875
Hydrophobic surface: 516.591	Hydrophilic surface: 148.308

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: no related molecules available.