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MMsINC code: MMs03951035

Type: Neutral
Formula: C₂₀H₁₆N₄O₂

SMILES:

O1c2cc(Nc3n4C=C(C=Cc4nc3-c3cccnc3)C)ccc2OC1

InChI:

InChI=1/C20H16N4O2/c1-13-4-7-18-23-19(14-3-2-8-21-10-14)20(24(18)11-13)22-15-5-6-16-17(9-15)26-12-25-16/h2-11,22H,12H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.483 kcal/mol

Physical Properties
Molecular Weight: 344.374 g/mol	logS: -3.65639	SlogP: 4.305	Reactive groups: 0

Topological Properties
Globularity: 0.135128	Sterimol/B1: 3.24257	Sterimol/B2: 3.74293	Sterimol/B3: 4.5699
Sterimol/B4: 9.51597	Sterimol/L: 13.8583

Surface and Volume Properties
Accessible surface: 586.036	Positive charged surface: 379.612	Negative charged surface: 206.423	Volume: 323
Hydrophobic surface: 490.929	Hydrophilic surface: 95.107

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.