MMsINC Database Search


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MMsINC code: MMs01233364

Type: Neutral
Formula: C₁₅H₁₅N₃O₃

SMILES:

O(CC)c1ccc(cc1)C(=O)NNC(=O)c1ccncc1

InChI:

InChI=1/C15H15N3O3/c1-2-21-13-5-3-11(4-6-13)14(19)17-18-15(20)12-7-9-16-10-8-12/h3-10H,2H2,1H3,(H,17,19)(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.2849 kcal/mol

Physical Properties
Molecular Weight: 285.303 g/mol	logS: -2.70285	SlogP: 1.5551	Reactive groups: 0

Topological Properties
Globularity: 0.00370846	Sterimol/B1: 2.37463	Sterimol/B2: 2.37586	Sterimol/B3: 3.18389
Sterimol/B4: 5.51599	Sterimol/L: 18.6076

Surface and Volume Properties
Accessible surface: 542.971	Positive charged surface: 342.856	Negative charged surface: 200.115	Volume: 270.5
Hydrophobic surface: 400.015	Hydrophilic surface: 142.956

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.