MMsINC Database Search


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MMsINC code: MMs03929674

Type: Neutral
Formula: C₂₀H₁₄N₄O₂

SMILES:

O(C)c1cc(ccc1O)-c1[nH]c2c(n1)cc1nc3c(nc1c2)cccc3

InChI:

InChI=1/C20H14N4O2/c1-26-19-8-11(6-7-18(19)25)20-23-16-9-14-15(10-17(16)24-20)22-13-5-3-2-4-12(13)21-14/h2-10,25H,1H3,(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.545 kcal/mol

Physical Properties
Molecular Weight: 342.358 g/mol	logS: -5.29335	SlogP: 4.0405	Reactive groups: 0

Topological Properties
Globularity: 0.00234439	Sterimol/B1: 2.29257	Sterimol/B2: 2.36978	Sterimol/B3: 2.37927
Sterimol/B4: 7.23853	Sterimol/L: 19.0456

Surface and Volume Properties
Accessible surface: 595.87	Positive charged surface: 373.286	Negative charged surface: 222.584	Volume: 314.75
Hydrophobic surface: 446.508	Hydrophilic surface: 149.362

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 6	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.