MMsINC Database Search


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MMsINC code: MMs02817813

Type: Neutral
Formula: C₁₁H₁₄N₄O₂

SMILES:

O=C1N(C2CCCCC2)C(=O)Nc2nc[nH]c12

InChI:

InChI=1/C11H14N4O2/c16-10-8-9(13-6-12-8)14-11(17)15(10)7-4-2-1-3-5-7/h6-7H,1-5H2,(H,12,13)(H,14,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-14.4745 kcal/mol

Physical Properties
Molecular Weight: 234.259 g/mol	logS: -2.37145	SlogP: 1.7301	Reactive groups: 0

Topological Properties
Globularity: 0.11203	Sterimol/B1: 3.62335	Sterimol/B2: 3.625	Sterimol/B3: 3.66811
Sterimol/B4: 4.21145	Sterimol/L: 13.8382

Surface and Volume Properties
Accessible surface: 413.621	Positive charged surface: 305.726	Negative charged surface: 107.895	Volume: 211.875
Hydrophobic surface: 256.662	Hydrophilic surface: 156.959

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.