MMsINC Database Search


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

MMsINC code: MMs01500807

Type: Neutral
Formula: C₁₇H₁₅N₃O₅

SMILES:

O(C(=O)c1ccccc1NC(=O)c1ccccc1)CC(=O)NC(=O)N

InChI:

InChI=1/C17H15N3O5/c18-17(24)20-14(21)10-25-16(23)12-8-4-5-9-13(12)19-15(22)11-6-2-1-3-7-11/h1-9H,10H2,(H,19,22)(H3,18,20,21,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.293 kcal/mol

Physical Properties
Molecular Weight: 341.323 g/mol	logS: -4.24369	SlogP: 1.2906	Reactive groups: 0

Topological Properties
Globularity: 0.0128165	Sterimol/B1: 2.45256	Sterimol/B2: 2.63638	Sterimol/B3: 2.73788
Sterimol/B4: 10.0785	Sterimol/L: 17.8952

Surface and Volume Properties
Accessible surface: 585.2	Positive charged surface: 344.184	Negative charged surface: 241.016	Volume: 302.5
Hydrophobic surface: 367.767	Hydrophilic surface: 217.433

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.