MMsINC Database Search


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MMsINC code: MMs03701188

Type: Neutral
Formula: C₁₅H₁₈N₈

SMILES:

n1cc(ncc1CNCc1nnnn1-c1nccc(c1)CC)C

InChI:

InChI=1/C15H18N8/c1-3-12-4-5-17-14(6-12)23-15(20-21-22-23)10-16-8-13-9-18-11(2)7-19-13/h4-7,9,16H,3,8,10H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.7079 kcal/mol

Physical Properties
Molecular Weight: 310.365 g/mol	logS: -0.38584	SlogP: 1.54069	Reactive groups: 0

Topological Properties
Globularity: 0.0568669	Sterimol/B1: 2.87906	Sterimol/B2: 3.25646	Sterimol/B3: 4.43
Sterimol/B4: 6.68145	Sterimol/L: 17.5282

Surface and Volume Properties
Accessible surface: 572.616	Positive charged surface: 386.013	Negative charged surface: 153.108	Volume: 297.5
Hydrophobic surface: 449.271	Hydrophilic surface: 123.345

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 7	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.