MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs01255064

Type: Neutral
Formula: C₁₇H₁₄N₄O₄

SMILES:

O=C1N(NC(=O)c2c1cccc2)CC(=O)NNC(=O)c1ccccc1

InChI:

InChI=1/C17H14N4O4/c22-14(18-19-15(23)11-6-2-1-3-7-11)10-21-17(25)13-9-5-4-8-12(13)16(24)20-21/h1-9H,10H2,(H,18,22)(H,19,23)(H,20,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.224 kcal/mol

Physical Properties
Molecular Weight: 338.323 g/mol	logS: -4.05687	SlogP: 0.2484	Reactive groups: 0

Topological Properties
Globularity: 0.0551617	Sterimol/B1: 2.94247	Sterimol/B2: 4.32871	Sterimol/B3: 4.35852
Sterimol/B4: 5.89805	Sterimol/L: 18.6685

Surface and Volume Properties
Accessible surface: 572.951	Positive charged surface: 304.271	Negative charged surface: 268.68	Volume: 299.75
Hydrophobic surface: 375.624	Hydrophilic surface: 197.327

Pharmacophoric Properties
Hydrogen bond donors: 3	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.