MMsINC Database Search


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MMsINC code: MMs00268615

Type: Neutral
Formula: C₁₅H₂₅N₅O₂

SMILES:

O=C1N(C)C(=O)N(c2nc(n(c12)CCC(C)C)NCCC)C

InChI:

InChI=1/C15H25N5O2/c1-6-8-16-14-17-12-11(20(14)9-7-10(2)3)13(21)19(5)15(22)18(12)4/h10H,6-9H2,1-5H3,(H,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-18.4349 kcal/mol

Physical Properties
Molecular Weight: 307.398 g/mol	logS: -3.17493	SlogP: 2.6593	Reactive groups: 0

Topological Properties
Globularity: 0.0740542	Sterimol/B1: 3.06467	Sterimol/B2: 3.46474	Sterimol/B3: 5.35154
Sterimol/B4: 8.32775	Sterimol/L: 15.1192

Surface and Volume Properties
Accessible surface: 585.432	Positive charged surface: 470.954	Negative charged surface: 114.478	Volume: 309.5
Hydrophobic surface: 425.409	Hydrophilic surface: 160.023

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.