MMsINC Database Search


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MMsINC code: MMs01529994

Type: Neutral
Formula: C₁₄H₂₀N₂O₂S

SMILES:

S(=O)(=O)(N1CCCCC1)c1cc2CCCNc2cc1

InChI:

InChI=1/C14H20N2O2S/c17-19(18,16-9-2-1-3-10-16)13-6-7-14-12(11-13)5-4-8-15-14/h6-7,11,15H,1-5,8-10H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=25.2966 kcal/mol

Physical Properties
Molecular Weight: 280.392 g/mol	logS: -2.23469	SlogP: 2.21927	Reactive groups: 0

Topological Properties
Globularity: 0.0772454	Sterimol/B1: 2.58942	Sterimol/B2: 3.76454	Sterimol/B3: 3.96394
Sterimol/B4: 5.95528	Sterimol/L: 14.738

Surface and Volume Properties
Accessible surface: 490.99	Positive charged surface: 354.462	Negative charged surface: 136.528	Volume: 263
Hydrophobic surface: 402.024	Hydrophilic surface: 88.966

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.