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MMsINC code: MMs02991194

Type: Neutral
Formula: C₁₈H₂₀N₂O₂

SMILES:

O(CCCC)c1ccccc1\C=N\NC(=O)c1ccccc1

InChI:

InChI=1/C18H20N2O2/c1-2-3-13-22-17-12-8-7-11-16(17)14-19-20-18(21)15-9-5-4-6-10-15/h4-12,14H,2-3,13H2,1H3,(H,20,21)/b19-14+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.3588 kcal/mol

Physical Properties
Molecular Weight: 296.37 g/mol	logS: -4.63273	SlogP: 3.6294	Reactive groups: 0

Topological Properties
Globularity: 0.0109272	Sterimol/B1: 2.37907	Sterimol/B2: 2.37973	Sterimol/B3: 2.38193
Sterimol/B4: 10.982	Sterimol/L: 16.2942

Surface and Volume Properties
Accessible surface: 583.67	Positive charged surface: 380.375	Negative charged surface: 203.295	Volume: 307.5
Hydrophobic surface: 502.972	Hydrophilic surface: 80.698

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.