MMsINC Database Search


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MMsINC code: MMs03212677

Type: Neutral
Formula: C₁₅H₁₅N₅

SMILES:

n1n(c2c(cc(N=Nc3ccc(NC)cc3)cc2)c1)C

InChI:

InChI=1/C15H15N5/c1-16-12-3-5-13(6-4-12)18-19-14-7-8-15-11(9-14)10-17-20(15)2/h3-10,16H,1-2H3/b19-18+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.3336 kcal/mol

Physical Properties
Molecular Weight: 265.32 g/mol	logS: -3.25087	SlogP: 4.3896	Reactive groups: 0

Topological Properties
Globularity: 0.0041196	Sterimol/B1: 2.37541	Sterimol/B2: 2.51432	Sterimol/B3: 3.82835
Sterimol/B4: 5.2287	Sterimol/L: 18.33

Surface and Volume Properties
Accessible surface: 529.149	Positive charged surface: 361.629	Negative charged surface: 161.677	Volume: 264.625
Hydrophobic surface: 484.985	Hydrophilic surface: 44.164

Pharmacophoric Properties
Hydrogen bond donors: 1	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: no related molecules available.