MMsINC Database Search


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MMsINC code: MMs02815934

Type: Neutral
Formula: C₁₅H₂₅N₅

SMILES:

[nH]1c2ncnc(N(CCCCC)CCCCC)c2nc1

InChI:

InChI=1/C15H25N5/c1-3-5-7-9-20(10-8-6-4-2)15-13-14(17-11-16-13)18-12-19-15/h11-12H,3-10H2,1-2H3,(H,16,17,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.7411 kcal/mol

Physical Properties
Molecular Weight: 275.4 g/mol	logS: -4.82945	SlogP: 3.5397	Reactive groups: 0

Topological Properties
Globularity: 0.0999358	Sterimol/B1: 2.52933	Sterimol/B2: 3.86593	Sterimol/B3: 5.32045
Sterimol/B4: 7.87402	Sterimol/L: 17.049

Surface and Volume Properties
Accessible surface: 570.112	Positive charged surface: 475.964	Negative charged surface: 94.1476	Volume: 294.375
Hydrophobic surface: 431.146	Hydrophilic surface: 138.966

Pharmacophoric Properties
Hydrogen bond donors: 3	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.