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MMsINC code: MMs02307718

Type: Neutral
Formula: C₁₆H₂₄N₂O₂

SMILES:

O1CCN(CC1)C(CC)C(=O)Nc1c(cccc1C)C

InChI:

InChI=1/C16H24N2O2/c1-4-14(18-8-10-20-11-9-18)16(19)17-15-12(2)6-5-7-13(15)3/h5-7,14H,4,8-11H2,1-3H3,(H,17,19)/t14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=115.85 kcal/mol

Physical Properties
Molecular Weight: 276.38 g/mol	logS: -2.62626	SlogP: 2.35274	Reactive groups: 0

Topological Properties
Globularity: 0.075519	Sterimol/B1: 2.38461	Sterimol/B2: 2.56452	Sterimol/B3: 4.0827
Sterimol/B4: 7.211	Sterimol/L: 14.4406

Surface and Volume Properties
Accessible surface: 503.07	Positive charged surface: 358.795	Negative charged surface: 144.275	Volume: 285.5
Hydrophobic surface: 451.019	Hydrophilic surface: 52.051

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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

MMs02307719
NCID-ZINC01671690