MMsINC Database Search


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MMsINC code: MMs01510692

Type: Neutral
Formula: C₂₀H₁₉NO₇

SMILES:

O(C)c1c(OC)cc(cc1OC)C(OCCN1C(=O)c2c(cccc2)C1=O)=O

InChI:

InChI=1/C20H19NO7/c1-25-15-10-12(11-16(26-2)17(15)27-3)20(24)28-9-8-21-18(22)13-6-4-5-7-14(13)19(21)23/h4-7,10-11H,8-9H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.025 kcal/mol

Physical Properties
Molecular Weight: 385.372 g/mol	logS: -4.26194	SlogP: 2.1654	Reactive groups: 0

Topological Properties
Globularity: 0.129745	Sterimol/B1: 2.66688	Sterimol/B2: 3.41332	Sterimol/B3: 5.90117
Sterimol/B4: 7.09007	Sterimol/L: 15.5278

Surface and Volume Properties
Accessible surface: 634.021	Positive charged surface: 456.942	Negative charged surface: 177.08	Volume: 350
Hydrophobic surface: 519.909	Hydrophilic surface: 114.112

Pharmacophoric Properties
Hydrogen bond donors: 0	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.