MMsINC Database Search


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MMsINC code: MMs01253021

Type: Neutral
Formula: C₁₆H₂₃NO₂

SMILES:

O(C(=O)Nc1ccc(cc1)C)C1CCCCCCC1

InChI:

InChI=1/C16H23NO2/c1-13-9-11-14(12-10-13)17-16(18)19-15-7-5-3-2-4-6-8-15/h9-12,15H,2-8H2,1H3,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.1471 kcal/mol

Physical Properties
Molecular Weight: 261.365 g/mol	logS: -4.63929	SlogP: 4.65642	Reactive groups: 0

Topological Properties
Globularity: 0.08315	Sterimol/B1: 2.99118	Sterimol/B2: 3.64987	Sterimol/B3: 4.37782
Sterimol/B4: 5.26217	Sterimol/L: 15.2718

Surface and Volume Properties
Accessible surface: 521.849	Positive charged surface: 358.21	Negative charged surface: 163.639	Volume: 271.5
Hydrophobic surface: 471.753	Hydrophilic surface: 50.096

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.