MMsINC Database Search


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MMsINC code: MMs03160251

Type: Neutral
Formula: C₁₅H₂₃NO

SMILES:

O=C(NCCCCCC)Cc1ccc(cc1)C

InChI:

InChI=1/C15H23NO/c1-3-4-5-6-11-16-15(17)12-14-9-7-13(2)8-10-14/h7-10H,3-6,11-12H2,1-2H3,(H,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=29.0588 kcal/mol

Physical Properties
Molecular Weight: 233.355 g/mol	logS: -4.14104	SlogP: 3.23399	Reactive groups: 0

Topological Properties
Globularity: 0.0370824	Sterimol/B1: 3.04967	Sterimol/B2: 3.61868	Sterimol/B3: 3.62442
Sterimol/B4: 3.80333	Sterimol/L: 19.4554

Surface and Volume Properties
Accessible surface: 545.545	Positive charged surface: 396.022	Negative charged surface: 149.523	Volume: 264
Hydrophobic surface: 479.26	Hydrophilic surface: 66.285

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.