MMsINC Database Search


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MMsINC code: MMs01771503

Type: Neutral
Formula: C₂₀H₂₄N₂O₂

SMILES:

Oc1ccccc1\C=N\CCCCCC\N=C\c1ccccc1O

InChI:

InChI=1/C20H24N2O2/c23-19-11-5-3-9-17(19)15-21-13-7-1-2-8-14-22-16-18-10-4-6-12-20(18)24/h3-6,9-12,15-16,23-24H,1-2,7-8,13-14H2/b21-15+,22-16+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.4068 kcal/mol

Physical Properties
Molecular Weight: 324.424 g/mol	logS: -3.46416	SlogP: 4.1962	Reactive groups: 0

Topological Properties
Globularity: 0.0267128	Sterimol/B1: 2.39332	Sterimol/B2: 3.08849	Sterimol/B3: 3.64747
Sterimol/B4: 5.23919	Sterimol/L: 23.0406

Surface and Volume Properties
Accessible surface: 673.184	Positive charged surface: 476.798	Negative charged surface: 196.387	Volume: 342.25
Hydrophobic surface: 564.176	Hydrophilic surface: 109.008

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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.