MMsINC Database Search


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MMsINC code: MMs00614539

Type: Neutral
Formula: C₂₀H₁₆N₂O₂

SMILES:

Oc1ccccc1\C=N\c1ccc(NC(=O)c2ccccc2)cc1

InChI:

InChI=1/C20H16N2O2/c23-19-9-5-4-8-16(19)14-21-17-10-12-18(13-11-17)22-20(24)15-6-2-1-3-7-15/h1-14,23H,(H,22,24)/b21-14+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.4389 kcal/mol

Physical Properties
Molecular Weight: 316.36 g/mol	logS: -4.91766	SlogP: 4.3951	Reactive groups: 0

Topological Properties
Globularity: 0.0239518	Sterimol/B1: 2.8555	Sterimol/B2: 3.22028	Sterimol/B3: 3.32175
Sterimol/B4: 4.59099	Sterimol/L: 20.5005

Surface and Volume Properties
Accessible surface: 583.49	Positive charged surface: 330.159	Negative charged surface: 253.33	Volume: 309.875
Hydrophobic surface: 495.025	Hydrophilic surface: 88.465

Pharmacophoric Properties
Hydrogen bond donors: 2	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.