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MMsINC code: MMs02917092

Type: Neutral
Formula: C₂₃H₂₆N₂O

SMILES:

O=C(NCCCCCC)c1c2c(nc(-c3ccccc3)c1C)cccc2

InChI:

InChI=1/C23H26N2O/c1-3-4-5-11-16-24-23(26)21-17(2)22(18-12-7-6-8-13-18)25-20-15-10-9-14-19(20)21/h6-10,12-15H,3-5,11,16H2,1-2H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.7423 kcal/mol

Physical Properties
Molecular Weight: 346.474 g/mol	logS: -6.74984	SlogP: 5.52032	Reactive groups: 0

Topological Properties
Globularity: 0.0404855	Sterimol/B1: 2.21541	Sterimol/B2: 4.80219	Sterimol/B3: 5.19657
Sterimol/B4: 8.1359	Sterimol/L: 19.782

Surface and Volume Properties
Accessible surface: 672.508	Positive charged surface: 428.391	Negative charged surface: 237.202	Volume: 367
Hydrophobic surface: 595.561	Hydrophilic surface: 76.947

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.