MMsINC Database Search


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MMsINC code: MMs02815708

Type: Neutral
Formula: C₁₅H₁₄N₄O₃

SMILES:

O=C1N(C)C(=O)N(c2ncn(c12)C)CC(=O)c1ccccc1

InChI:

InChI=1/C15H14N4O3/c1-17-9-16-13-12(17)14(21)18(2)15(22)19(13)8-11(20)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=16.7006 kcal/mol

Physical Properties
Molecular Weight: 298.302 g/mol	logS: -2.78758	SlogP: 1.6742	Reactive groups: 0

Topological Properties
Globularity: 0.078719	Sterimol/B1: 3.1118	Sterimol/B2: 3.58592	Sterimol/B3: 3.79919
Sterimol/B4: 7.36437	Sterimol/L: 15.1607

Surface and Volume Properties
Accessible surface: 513.689	Positive charged surface: 351.803	Negative charged surface: 161.886	Volume: 271.375
Hydrophobic surface: 400.657	Hydrophilic surface: 113.032

Pharmacophoric Properties
Hydrogen bond donors: 0	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.