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MMsINC code: MMs01860233

Type: Neutral
Formula: C₁₇H₂₂N₂O₂

SMILES:

O=C1Nc2c(cccc2)C(=C1)CN(C(=O)CCC)CCC

InChI:

InChI=1/C17H22N2O2/c1-3-7-17(21)19(10-4-2)12-13-11-16(20)18-15-9-6-5-8-14(13)15/h5-6,8-9,11H,3-4,7,10,12H2,1-2H3,(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=42.3977 kcal/mol

Physical Properties
Molecular Weight: 286.375 g/mol	logS: -3.54469	SlogP: 3.0608	Reactive groups: 0

Topological Properties
Globularity: 0.112159	Sterimol/B1: 2.50538	Sterimol/B2: 4.95774	Sterimol/B3: 5.10677
Sterimol/B4: 7.10794	Sterimol/L: 14.2308

Surface and Volume Properties
Accessible surface: 535.081	Positive charged surface: 347.253	Negative charged surface: 187.828	Volume: 294.125
Hydrophobic surface: 385.429	Hydrophilic surface: 149.652

Pharmacophoric Properties
Hydrogen bond donors: 1	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.