MMsINC Database Search


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MMsINC code: MMs01460790

Type: Neutral
Formula: C₂₀H₁₉NO₅

SMILES:

O(CCCC(OCCN1C(=O)c2c(cccc2)C1=O)=O)c1ccccc1

InChI:

InChI=1/C20H19NO5/c22-18(11-6-13-25-15-7-2-1-3-8-15)26-14-12-21-19(23)16-9-4-5-10-17(16)20(21)24/h1-5,7-10H,6,11-14H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.572 kcal/mol

Physical Properties
Molecular Weight: 353.374 g/mol	logS: -4.27131	SlogP: 2.685	Reactive groups: 1

Topological Properties
Globularity: 0.043774	Sterimol/B1: 3.77151	Sterimol/B2: 3.77164	Sterimol/B3: 4.30184
Sterimol/B4: 6.80437	Sterimol/L: 18.5517

Surface and Volume Properties
Accessible surface: 648.583	Positive charged surface: 392.951	Negative charged surface: 255.632	Volume: 334
Hydrophobic surface: 538.351	Hydrophilic surface: 110.232

Pharmacophoric Properties
Hydrogen bond donors: 0	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.