MMsINC Database Search


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MMsINC code: MMs00316897

Type: Neutral
Formula: C₂₀H₁₈N₂O₃

SMILES:

O(C)c1ccc(cc1)C/C(=N\OC(=O)c1cc2c(cc1)cccc2)/N

InChI:

InChI=1/C20H18N2O3/c1-24-18-10-6-14(7-11-18)12-19(21)22-25-20(23)17-9-8-15-4-2-3-5-16(15)13-17/h2-11,13H,12H2,1H3,(H2,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=126.759 kcal/mol

Physical Properties
Molecular Weight: 334.375 g/mol	logS: -5.91796	SlogP: 3.52007	Reactive groups: 0

Topological Properties
Globularity: 0.0374338	Sterimol/B1: 2.48472	Sterimol/B2: 2.89485	Sterimol/B3: 4.61006
Sterimol/B4: 9.39411	Sterimol/L: 17.1768

Surface and Volume Properties
Accessible surface: 598.87	Positive charged surface: 382.841	Negative charged surface: 206.433	Volume: 324.875
Hydrophobic surface: 492.326	Hydrophilic surface: 106.544

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.