MMsINC Database Search


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MMsINC code: MMs00477830

Type: Neutral
Formula: C₁₅H₁₃N₃O₃

SMILES:

O=C(NC(=O)NC(=O)Nc1ccccc1)c1ccccc1

InChI:

InChI=1/C15H13N3O3/c19-13(11-7-3-1-4-8-11)17-15(21)18-14(20)16-12-9-5-2-6-10-12/h1-10H,(H3,16,17,18,19,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.7779 kcal/mol

Physical Properties
Molecular Weight: 283.287 g/mol	logS: -3.81193	SlogP: 2.3581	Reactive groups: 0

Topological Properties
Globularity: 0.00660869	Sterimol/B1: 2.60203	Sterimol/B2: 2.64882	Sterimol/B3: 3.41749
Sterimol/B4: 4.32295	Sterimol/L: 18.5599

Surface and Volume Properties
Accessible surface: 522.558	Positive charged surface: 288.719	Negative charged surface: 233.839	Volume: 259
Hydrophobic surface: 381.175	Hydrophilic surface: 141.383

Pharmacophoric Properties
Hydrogen bond donors: 3	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.