MMsINC Database Search


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MMsINC code: MMs01484603

Type: Neutral
Formula: C₁₄H₁₄N₄O₃

SMILES:

O(CC(=O)NC(=O)NCC=C)c1ncnc2c1cccc2

InChI:

InChI=1/C14H14N4O3/c1-2-7-15-14(20)18-12(19)8-21-13-10-5-3-4-6-11(10)16-9-17-13/h2-6,9H,1,7-8H2,(H2,15,18,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=25.3895 kcal/mol

Physical Properties
Molecular Weight: 286.291 g/mol	logS: -3.39339	SlogP: 1.0204	Reactive groups: 0

Topological Properties
Globularity: 0.00893944	Sterimol/B1: 2.23855	Sterimol/B2: 3.27481	Sterimol/B3: 4.58602
Sterimol/B4: 5.25638	Sterimol/L: 18.9682

Surface and Volume Properties
Accessible surface: 545.707	Positive charged surface: 349.521	Negative charged surface: 190.726	Volume: 265
Hydrophobic surface: 305.169	Hydrophilic surface: 240.538

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: no related molecules available.