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MMsINC code: MMs03808844

Type: Neutral
Formula: C₁₃H₁₇N₅O₂

SMILES:

O=C(NN)c1[nH]c2c(cccc2)c1CCCC(=O)NN

InChI:

InChI=1/C13H17N5O2/c14-17-11(19)7-3-5-9-8-4-1-2-6-10(8)16-12(9)13(20)18-15/h1-2,4,6,16H,3,5,7,14-15H2,(H,17,19)(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.1776 kcal/mol

Physical Properties
Molecular Weight: 275.312 g/mol	logS: -2.43696	SlogP: 0.08397	Reactive groups: 0

Topological Properties
Globularity: 0.0684919	Sterimol/B1: 2.54708	Sterimol/B2: 3.18733	Sterimol/B3: 3.46162
Sterimol/B4: 10.1449	Sterimol/L: 14.7685

Surface and Volume Properties
Accessible surface: 517.278	Positive charged surface: 335.683	Negative charged surface: 177.443	Volume: 255.375
Hydrophobic surface: 243.492	Hydrophilic surface: 273.786

Pharmacophoric Properties
Hydrogen bond donors: 5	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: no related molecules available.