MMsINC Database Search


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MMsINC code: MMs03003175

Type: Neutral
Formula: C₁₅H₂₃NO

SMILES:

O=C(NCCCCCC)CCc1ccccc1

InChI:

InChI=1/C15H23NO/c1-2-3-4-8-13-16-15(17)12-11-14-9-6-5-7-10-14/h5-7,9-10H,2-4,8,11-13H2,1H3,(H,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=16.7426 kcal/mol

Physical Properties
Molecular Weight: 233.355 g/mol	logS: -3.54904	SlogP: 3.31567	Reactive groups: 0

Topological Properties
Globularity: 0.0364925	Sterimol/B1: 2.26662	Sterimol/B2: 3.61782	Sterimol/B3: 3.69952
Sterimol/B4: 4.5342	Sterimol/L: 19.623

Surface and Volume Properties
Accessible surface: 544.927	Positive charged surface: 388.099	Negative charged surface: 156.828	Volume: 263.625
Hydrophobic surface: 473.569	Hydrophilic surface: 71.358

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.