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MMsINC code: MMs02281492

Type: Neutral
Formula: C₁₁H₁₃N₄+

SMILES:

[NH2+]=C(Nc1c2c(ccc1)cccc2)NN

InChI:

InChI=1/C11H12N4/c12-11(15-13)14-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,13H2,(H3,12,14,15)/p+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=34.611 kcal/mol

Physical Properties
Molecular Weight: 201.253 g/mol	logS: -3.56836	SlogP: -0.1699	Reactive groups: 0

Topological Properties
Globularity: 0.0356638	Sterimol/B1: 2.58753	Sterimol/B2: 2.72025	Sterimol/B3: 4.68613
Sterimol/B4: 5.2078	Sterimol/L: 13.1114

Surface and Volume Properties
Accessible surface: 419.199	Positive charged surface: 262.79	Negative charged surface: 145.304	Volume: 203.125
Hydrophobic surface: 254.21	Hydrophilic surface: 164.989

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 3
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

MMs02281493
NCID-ZINC01639198