MMsINC Database Search


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MMsINC code: MMs02642294

Type: Neutral
Formula: C₁₈H₁₄N₂O₂

SMILES:

O=C1N(c2n(-c3c1cccc3)c(c1c2cccc1)C(=O)C)C

InChI:

InChI=1/C18H14N2O2/c1-11(21)16-12-7-3-4-8-13(12)17-19(2)18(22)14-9-5-6-10-15(14)20(16)17/h3-10H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.907 kcal/mol

Physical Properties
Molecular Weight: 290.322 g/mol	logS: -4.4188	SlogP: 3.4231	Reactive groups: 0

Topological Properties
Globularity: 0.0365741	Sterimol/B1: 2.14138	Sterimol/B2: 2.3432	Sterimol/B3: 4.07767
Sterimol/B4: 9.1888	Sterimol/L: 13.6587

Surface and Volume Properties
Accessible surface: 481.398	Positive charged surface: 257.856	Negative charged surface: 214.299	Volume: 270.5
Hydrophobic surface: 411.798	Hydrophilic surface: 69.6

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.