MMsINC Database Search


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MMsINC code: MMs01508805

Type: Neutral
Formula: C₂₁H₂₃NO₇

SMILES:

O(C)c1cc(C(OC)=O)c(NC(=O)COc2ccc(cc2)C(=O)CC)cc1OC

InChI:

InChI=1/C21H23NO7/c1-5-17(23)13-6-8-14(9-7-13)29-12-20(24)22-16-11-19(27-3)18(26-2)10-15(16)21(25)28-4/h6-11H,5,12H2,1-4H3,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=133.427 kcal/mol

Physical Properties
Molecular Weight: 401.415 g/mol	logS: -4.42822	SlogP: 3.1006	Reactive groups: 0

Topological Properties
Globularity: 0.0140701	Sterimol/B1: 2.7917	Sterimol/B2: 3.14303	Sterimol/B3: 5.92729
Sterimol/B4: 7.39897	Sterimol/L: 21.5475

Surface and Volume Properties
Accessible surface: 707.453	Positive charged surface: 523.268	Negative charged surface: 184.186	Volume: 374.125
Hydrophobic surface: 564.558	Hydrophilic surface: 142.895

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 6	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.