MMsINC Database Search


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MMsINC code: MMs03083105

Type: Neutral
Formula: C₁₀H₁₆N₅+

SMILES:

[NH2+]=C(N\C(=N\CCc1ccccc1)\N)N

InChI:

InChI=1/C10H15N5/c11-9(12)15-10(13)14-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H6,11,12,13,14,15)/p+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-95.7593 kcal/mol

Physical Properties
Molecular Weight: 206.273 g/mol	logS: -2.14535	SlogP: -1.79283	Reactive groups: 0

Topological Properties
Globularity: 0.024623	Sterimol/B1: 2.72677	Sterimol/B2: 2.82394	Sterimol/B3: 3.69771
Sterimol/B4: 4.36455	Sterimol/L: 14.9201

Surface and Volume Properties
Accessible surface: 444.884	Positive charged surface: 322.084	Negative charged surface: 122.8	Volume: 210.625
Hydrophobic surface: 243.232	Hydrophilic surface: 201.652

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: no related molecules available.