MMsINC Database Search


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MMsINC code: MMs01544092

Type: Neutral
Formula: C₁₈H₁₉N₃O₆

SMILES:

O(C)c1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1cc(N(C)C)ccc1

InChI:

InChI=1/C18H19N3O6/c1-20(2)13-6-4-5-12(9-13)18(23)27-11-17(22)19-15-10-14(21(24)25)7-8-16(15)26-3/h4-10H,11H2,1-3H3,(H,19,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=132.069 kcal/mol

Physical Properties
Molecular Weight: 373.365 g/mol	logS: -4.53106	SlogP: 2.4649	Reactive groups: 0

Topological Properties
Globularity: 0.0151998	Sterimol/B1: 2.87443	Sterimol/B2: 3.40103	Sterimol/B3: 5.36642
Sterimol/B4: 5.78349	Sterimol/L: 19.0835

Surface and Volume Properties
Accessible surface: 649.693	Positive charged surface: 422.13	Negative charged surface: 227.563	Volume: 337.25
Hydrophobic surface: 479.156	Hydrophilic surface: 170.537

Pharmacophoric Properties
Hydrogen bond donors: 1	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.