MMsINC Database Search


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MMsINC code: MMs00695010

Type: Neutral
Formula: C₂₀H₂₄N₂O₂

SMILES:

O(CCC)c1ccc(cc1)\C=N\N=C\c1ccc(OCCC)cc1

InChI:

InChI=1/C20H24N2O2/c1-3-13-23-19-9-5-17(6-10-19)15-21-22-16-18-7-11-20(12-8-18)24-14-4-2/h5-12,15-16H,3-4,13-14H2,1-2H3/b21-15+,22-16+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.791 kcal/mol

Physical Properties
Molecular Weight: 324.424 g/mol	logS: -4.65162	SlogP: 4.7172	Reactive groups: 0

Topological Properties
Globularity: 0.00454332	Sterimol/B1: 2.37501	Sterimol/B2: 2.37759	Sterimol/B3: 3.48301
Sterimol/B4: 6.05709	Sterimol/L: 24.6515

Surface and Volume Properties
Accessible surface: 684.812	Positive charged surface: 474.298	Negative charged surface: 210.514	Volume: 345.125
Hydrophobic surface: 576.416	Hydrophilic surface: 108.396

Pharmacophoric Properties
Hydrogen bond donors: 0	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.