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MMsINC code: MMs01784720

Type: Neutral
Formula: C₁₇H₂₅NO₂

SMILES:

O(CCCCC(C)C)c1ccc(cc1)C1CC(=O)NC1

InChI:

InChI=1/C17H25NO2/c1-13(2)5-3-4-10-20-16-8-6-14(7-9-16)15-11-17(19)18-12-15/h6-9,13,15H,3-5,10-12H2,1-2H3,(H,18,19)/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.2141 kcal/mol

Physical Properties
Molecular Weight: 275.392 g/mol	logS: -4.13804	SlogP: 3.4952	Reactive groups: 0

Topological Properties
Globularity: 0.033134	Sterimol/B1: 2.96477	Sterimol/B2: 3.85927	Sterimol/B3: 3.9652
Sterimol/B4: 4.89726	Sterimol/L: 18.7606

Surface and Volume Properties
Accessible surface: 573.412	Positive charged surface: 411.129	Negative charged surface: 162.283	Volume: 294.625
Hydrophobic surface: 442.85	Hydrophilic surface: 130.562

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.