MMsINC Database Search


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MMsINC code: MMs02419466

Type: Neutral
Formula: C₂₄H₁₈N₂O₂

SMILES:

O=C(\C=N/O)c1c(c([nH]c1-c1ccccc1)-c1ccccc1)-c1ccccc1

InChI:

InChI=1/C24H18N2O2/c27-20(16-25-28)22-21(17-10-4-1-5-11-17)23(18-12-6-2-7-13-18)26-24(22)19-14-8-3-9-15-19/h1-16,26,28H/b25-16-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=119.163 kcal/mol

Physical Properties
Molecular Weight: 366.42 g/mol	logS: -7.19752	SlogP: 5.6584	Reactive groups: 0

Topological Properties
Globularity: 0.102227	Sterimol/B1: 3.22333	Sterimol/B2: 3.38559	Sterimol/B3: 3.69003
Sterimol/B4: 9.14069	Sterimol/L: 15.1144

Surface and Volume Properties
Accessible surface: 630.043	Positive charged surface: 352.108	Negative charged surface: 277.935	Volume: 362
Hydrophobic surface: 506.071	Hydrophilic surface: 123.972

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.