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MMsINC code: MMs00222908

Type: Neutral
Formula: C₂₄H₂₆N₂O₂

SMILES:

O=C1Nc2c(cccc2)C(=C1)CN(C(=O)C1CCCCC1)c1ccc(cc1)C

InChI:

InChI=1/C24H26N2O2/c1-17-11-13-20(14-12-17)26(24(28)18-7-3-2-4-8-18)16-19-15-23(27)25-22-10-6-5-9-21(19)22/h5-6,9-15,18H,2-4,7-8,16H2,1H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.5061 kcal/mol

Physical Properties
Molecular Weight: 374.484 g/mol	logS: -6.44366	SlogP: 4.94402	Reactive groups: 0

Topological Properties
Globularity: 0.15747	Sterimol/B1: 2.13379	Sterimol/B2: 3.22479	Sterimol/B3: 4.71772
Sterimol/B4: 11.2909	Sterimol/L: 14.7719

Surface and Volume Properties
Accessible surface: 617.236	Positive charged surface: 415.457	Negative charged surface: 201.779	Volume: 375.75
Hydrophobic surface: 519.785	Hydrophilic surface: 97.451

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

MMs00222909
ASINEX-ZINC00924592