MMsINC Database Search


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MMsINC code: MMs03408474

Type: Neutral
Formula: C₁₅H₂₃NOS

SMILES:

S(CCC)C(=O)NCCCCCc1ccccc1

InChI:

InChI=1/C15H23NOS/c1-2-13-18-15(17)16-12-8-4-7-11-14-9-5-3-6-10-14/h3,5-6,9-10H,2,4,7-8,11-13H2,1H3,(H,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=6.60472 kcal/mol

Physical Properties
Molecular Weight: 265.421 g/mol	logS: -4.40151	SlogP: 4.25217	Reactive groups: 0

Topological Properties
Globularity: 0.028399	Sterimol/B1: 3.16278	Sterimol/B2: 3.43669	Sterimol/B3: 3.62133
Sterimol/B4: 3.63429	Sterimol/L: 21.1506

Surface and Volume Properties
Accessible surface: 575.247	Positive charged surface: 387.168	Negative charged surface: 188.079	Volume: 287.625
Hydrophobic surface: 467.455	Hydrophilic surface: 107.792

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