MMsINC Database Search


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MMsINC code: MMs00356909

Type: Neutral
Formula: C₁₅H₂₃N₄+

SMILES:

[NH2+](C(C)(C)C)CCN1CCn2c3c(nc12)cccc3

InChI:

InChI=1/C15H22N4/c1-15(2,3)16-8-9-18-10-11-19-13-7-5-4-6-12(13)17-14(18)19/h4-7,16H,8-11H2,1-3H3/p+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.7859 kcal/mol

Physical Properties
Molecular Weight: 259.377 g/mol	logS: -3.10076	SlogP: 1.4846	Reactive groups: 0

Topological Properties
Globularity: 0.0652852	Sterimol/B1: 3.12286	Sterimol/B2: 3.35826	Sterimol/B3: 3.73372
Sterimol/B4: 7.04064	Sterimol/L: 15.4296

Surface and Volume Properties
Accessible surface: 525.052	Positive charged surface: 391.239	Negative charged surface: 133.813	Volume: 278.625
Hydrophobic surface: 420.29	Hydrophilic surface: 104.762

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

MMs00356910
ASINEX-ZINC04635703