MMsINC Database Search


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MMsINC code: MMs01970242

Type: Neutral
Formula: C₁₅H₁₆N₄O

SMILES:

o1c2c(ncnc2N2CCCC2)c2c1nc(cc2C)C

InChI:

InChI=1/C15H16N4O/c1-9-7-10(2)18-15-11(9)12-13(20-15)14(17-8-16-12)19-5-3-4-6-19/h7-8H,3-6H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.289 kcal/mol

Physical Properties
Molecular Weight: 268.32 g/mol	logS: -4.63327	SlogP: 2.98804	Reactive groups: 0

Topological Properties
Globularity: 0.0324965	Sterimol/B1: 2.61651	Sterimol/B2: 2.98594	Sterimol/B3: 3.59858
Sterimol/B4: 7.23099	Sterimol/L: 14.6233

Surface and Volume Properties
Accessible surface: 500.11	Positive charged surface: 378.223	Negative charged surface: 116.35	Volume: 259
Hydrophobic surface: 388.712	Hydrophilic surface: 111.398

Pharmacophoric Properties
Hydrogen bond donors: 0	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.