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MMsINC code: MMs02356160

Type: Neutral
Formula: C₁₉H₂₅NO₂

SMILES:

O(C(=O)Cc1c2c(ccc1)cccc2)CCCN(CC)CC

InChI:

InChI=1/C19H25NO2/c1-3-20(4-2)13-8-14-22-19(21)15-17-11-7-10-16-9-5-6-12-18(16)17/h5-7,9-12H,3-4,8,13-15H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.0594 kcal/mol

Physical Properties
Molecular Weight: 299.414 g/mol	logS: -4.46004	SlogP: 3.65737	Reactive groups: 1

Topological Properties
Globularity: 0.0484294	Sterimol/B1: 2.68957	Sterimol/B2: 3.44981	Sterimol/B3: 4.55199
Sterimol/B4: 6.41469	Sterimol/L: 17.4045

Surface and Volume Properties
Accessible surface: 608.717	Positive charged surface: 414.27	Negative charged surface: 186.895	Volume: 321.625
Hydrophobic surface: 534.844	Hydrophilic surface: 73.873

Pharmacophoric Properties
Hydrogen bond donors: 0	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

search links for this molecule:

Ions/Tautomers related molecules

MMs02356161
NCID-ZINC01733777