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MMsINC code: MMs02453228

Type: Neutral
Formula: C₁₈H₂₄N₂O₂

SMILES:

O=C1N(C2C(N(C1)CCC)CCCC2)C(=O)c1ccccc1

InChI:

InChI=1/C18H24N2O2/c1-2-12-19-13-17(21)20(16-11-7-6-10-15(16)19)18(22)14-8-4-3-5-9-14/h3-5,8-9,15-16H,2,6-7,10-13H2,1H3/t15-,16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=136.139 kcal/mol

Physical Properties
Molecular Weight: 300.402 g/mol	logS: -3.34396	SlogP: 2.6922	Reactive groups: 0

Topological Properties
Globularity: 0.0816566	Sterimol/B1: 2.41719	Sterimol/B2: 3.21018	Sterimol/B3: 3.80639
Sterimol/B4: 9.09101	Sterimol/L: 14.7349

Surface and Volume Properties
Accessible surface: 540.434	Positive charged surface: 380.051	Negative charged surface: 160.384	Volume: 299.75
Hydrophobic surface: 475.743	Hydrophilic surface: 64.691

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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

MMs02453229
NCID-ZINC05340746