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MMsINC code: MMs01686555

Type: Neutral
Formula: C₂₀H₂₄N₂O₂

SMILES:

O=C(NCC(=O)NCCCc1ccccc1)c1cc(C)c(cc1)C

InChI:

InChI=1/C20H24N2O2/c1-15-10-11-18(13-16(15)2)20(24)22-14-19(23)21-12-6-9-17-7-4-3-5-8-17/h3-5,7-8,10-11,13H,6,9,12,14H2,1-2H3,(H,21,23)(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.6447 kcal/mol

Physical Properties
Molecular Weight: 324.424 g/mol	logS: -4.68256	SlogP: 2.78221	Reactive groups: 0

Topological Properties
Globularity: 0.0190598	Sterimol/B1: 2.67952	Sterimol/B2: 3.61501	Sterimol/B3: 3.62001
Sterimol/B4: 5.47696	Sterimol/L: 21.9887

Surface and Volume Properties
Accessible surface: 654.096	Positive charged surface: 405.061	Negative charged surface: 249.035	Volume: 337.75
Hydrophobic surface: 556.468	Hydrophilic surface: 97.628

Pharmacophoric Properties
Hydrogen bond donors: 2	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.