MMsINC Database Search


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MMsINC code: MMs00831862

Type: Neutral
Formula: C₁₄H₁₀N₄

SMILES:

[nH]1c2c(nc1-c1cc3[nH]cnc3cc1)cccc2

InChI:

InChI=1/C14H10N4/c1-2-4-12-11(3-1)17-14(18-12)9-5-6-10-13(7-9)16-8-15-10/h1-8H,(H,15,16)(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=39.4673 kcal/mol

Physical Properties
Molecular Weight: 234.262 g/mol	logS: -4.90994	SlogP: 3.1062	Reactive groups: 0

Topological Properties
Globularity: 2.94879e-07	Sterimol/B1: 2.09956	Sterimol/B2: 2.09982	Sterimol/B3: 4.01553
Sterimol/B4: 4.44872	Sterimol/L: 15.3918

Surface and Volume Properties
Accessible surface: 451.297	Positive charged surface: 270.684	Negative charged surface: 180.613	Volume: 222.75
Hydrophobic surface: 361.989	Hydrophilic surface: 89.308

Pharmacophoric Properties
Hydrogen bond donors: 4	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

MMs00831863
CHEMDIV-ZINC00089304