MMsINC Database Search


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MMsINC code: MMs00732369

Type: Neutral
Formula: C₂₀H₂₀N₂O₅

SMILES:

O(C)c1ccc(OC)cc1NC(=O)Cn1cc(c2c1cccc2)C(OC)=O

InChI:

InChI=1/C20H20N2O5/c1-25-13-8-9-18(26-2)16(10-13)21-19(23)12-22-11-15(20(24)27-3)14-6-4-5-7-17(14)22/h4-11H,12H2,1-3H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.356 kcal/mol

Physical Properties
Molecular Weight: 368.389 g/mol	logS: -4.04771	SlogP: 3.3502	Reactive groups: 0

Topological Properties
Globularity: 0.122304	Sterimol/B1: 2.41574	Sterimol/B2: 2.87937	Sterimol/B3: 5.86027
Sterimol/B4: 8.99982	Sterimol/L: 16.2309

Surface and Volume Properties
Accessible surface: 651.135	Positive charged surface: 470.939	Negative charged surface: 174.996	Volume: 346.625
Hydrophobic surface: 554.857	Hydrophilic surface: 96.278

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.