MMsINC Database Search


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MMsINC code: MMs02359606

Type: Neutral
Formula: C₁₇H₂₆N₂O₂

SMILES:

OCCN(C(=O)Nc1c(cccc1C)C)C1CCCCC1

InChI:

InChI=1/C17H26N2O2/c1-13-7-6-8-14(2)16(13)18-17(21)19(11-12-20)15-9-4-3-5-10-15/h6-8,15,20H,3-5,9-12H2,1-2H3,(H,18,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.157 kcal/mol

Physical Properties
Molecular Weight: 290.407 g/mol	logS: -2.91174	SlogP: 3.46234	Reactive groups: 0

Topological Properties
Globularity: 0.260243	Sterimol/B1: 2.21363	Sterimol/B2: 3.19587	Sterimol/B3: 6.43367
Sterimol/B4: 6.63234	Sterimol/L: 13.5657

Surface and Volume Properties
Accessible surface: 531.726	Positive charged surface: 385.94	Negative charged surface: 145.785	Volume: 304.25
Hydrophobic surface: 479.08	Hydrophilic surface: 52.646

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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.