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MMsINC code: MMs02883804

Type: Neutral
Formula: C₁₅H₂₄N₄O₂

SMILES:

OCCN1CCN(CC1)c1ncc(cc1)C(=O)NCCC

InChI:

InChI=1/C15H24N4O2/c1-2-5-16-15(21)13-3-4-14(17-12-13)19-8-6-18(7-9-19)10-11-20/h3-4,12,20H,2,5-11H2,1H3,(H,16,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.154 kcal/mol

Physical Properties
Molecular Weight: 292.383 g/mol	logS: -0.88471	SlogP: 0.3357	Reactive groups: 0

Topological Properties
Globularity: 0.0265502	Sterimol/B1: 2.88968	Sterimol/B2: 3.20685	Sterimol/B3: 3.60695
Sterimol/B4: 5.97414	Sterimol/L: 18.8459

Surface and Volume Properties
Accessible surface: 575.153	Positive charged surface: 467.362	Negative charged surface: 107.791	Volume: 295
Hydrophobic surface: 435.703	Hydrophilic surface: 139.45

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs02883805
PUBCHEM-ZINC02191269