MMsINC Database Search


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MMsINC code: MMs03544930

Type: Neutral
Formula: C₁₄H₁₄N₄O

SMILES:

O(c1ccc(cc1)\C=N\N=C(N)N)c1ccccc1

InChI:

InChI=1/C14H14N4O/c15-14(16)18-17-10-11-6-8-13(9-7-11)19-12-4-2-1-3-5-12/h1-10H,(H4,15,16,18)/b17-10+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=42.4931 kcal/mol

Physical Properties
Molecular Weight: 254.293 g/mol	logS: -3.70093	SlogP: 2.0862	Reactive groups: 0

Topological Properties
Globularity: 0.0573796	Sterimol/B1: 2.39532	Sterimol/B2: 2.80767	Sterimol/B3: 4.45127
Sterimol/B4: 5.63117	Sterimol/L: 17.1475

Surface and Volume Properties
Accessible surface: 508.115	Positive charged surface: 322.11	Negative charged surface: 186.006	Volume: 249.125
Hydrophobic surface: 336.141	Hydrophilic surface: 171.974

Pharmacophoric Properties
Hydrogen bond donors: 2	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.