MMsINC Database Search


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MMsINC code: MMs00292742

Type: Neutral
Formula: C₁₄H₂₅NO₆

SMILES:

O1C(CO)C(O)C(O)C(NC(=O)C)C1OC1CCCCC1

InChI:

InChI=1/C14H25NO6/c1-8(17)15-11-13(19)12(18)10(7-16)21-14(11)20-9-5-3-2-4-6-9/h9-14,16,18-19H,2-7H2,1H3,(H,15,17)/t10-,11+,12+,13+,14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.6754 kcal/mol

Physical Properties
Molecular Weight: 303.355 g/mol	logS: -0.94884	SlogP: -0.7206	Reactive groups: 0

Topological Properties
Globularity: 0.205736	Sterimol/B1: 2.53327	Sterimol/B2: 2.53866	Sterimol/B3: 5.52702
Sterimol/B4: 9.03322	Sterimol/L: 13.0512

Surface and Volume Properties
Accessible surface: 545.73	Positive charged surface: 418.046	Negative charged surface: 127.684	Volume: 285.875
Hydrophobic surface: 383.89	Hydrophilic surface: 161.84

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 6	Acid groups: 0	Basic groups: 0
Chiral centers: 5

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.