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MMsINC code: MMs01229121

Type: Neutral
Formula: C₂₀H₁₄N₂O₂

SMILES:

OC(=O)c1ccc(cc1)-c1nc2c(n1-c1ccccc1)cccc2

InChI:

InChI=1/C20H14N2O2/c23-20(24)15-12-10-14(11-13-15)19-21-17-8-4-5-9-18(17)22(19)16-6-2-1-3-7-16/h1-13H,(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.734 kcal/mol

Physical Properties
Molecular Weight: 314.344 g/mol	logS: -6.17751	SlogP: 4.3907	Reactive groups: 0

Topological Properties
Globularity: 0.051126	Sterimol/B1: 2.50779	Sterimol/B2: 3.38136	Sterimol/B3: 3.51728
Sterimol/B4: 9.0515	Sterimol/L: 15.6007

Surface and Volume Properties
Accessible surface: 537.679	Positive charged surface: 292.873	Negative charged surface: 244.806	Volume: 300.125
Hydrophobic surface: 421.229	Hydrophilic surface: 116.45

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

MMs01229122
ENAMINE-ZINC00367004