MMsINC Database Search


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MMsINC code: MMs03608632

Type: Neutral
Formula: C₁₉H₂₃N₃O₆

SMILES:

O(c1ccccc1C(=O)NC(C(C)C)C(OC)=O)c1nc(OC)nc(OC)c1

InChI:

InChI=1/C19H23N3O6/c1-11(2)16(18(24)26-4)22-17(23)12-8-6-7-9-13(12)28-15-10-14(25-3)20-19(21-15)27-5/h6-11,16H,1-5H3,(H,22,23)/t16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.1915 kcal/mol

Physical Properties
Molecular Weight: 389.408 g/mol	logS: -4.68052	SlogP: 2.2135	Reactive groups: 0

Topological Properties
Globularity: 0.158179	Sterimol/B1: 3.38116	Sterimol/B2: 3.64269	Sterimol/B3: 6.3371
Sterimol/B4: 8.56775	Sterimol/L: 15.9429

Surface and Volume Properties
Accessible surface: 647.911	Positive charged surface: 479.76	Negative charged surface: 168.151	Volume: 362.625
Hydrophobic surface: 532.029	Hydrophilic surface: 115.882

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.