MMsINC Database Search


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MMsINC code: MMs00765879

Type: Neutral
Formula: C₂₀H₂₂N₂O₅

SMILES:

O1CCN(CC1)C(=O)c1ccccc1NC(=O)c1c(OC)cccc1OC

InChI:

InChI=1/C20H22N2O5/c1-25-16-8-5-9-17(26-2)18(16)19(23)21-15-7-4-3-6-14(15)20(24)22-10-12-27-13-11-22/h3-9H,10-13H2,1-2H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=138.779 kcal/mol

Physical Properties
Molecular Weight: 370.405 g/mol	logS: -3.78725	SlogP: 2.4285	Reactive groups: 0

Topological Properties
Globularity: 0.295667	Sterimol/B1: 2.12986	Sterimol/B2: 4.11596	Sterimol/B3: 7.34636
Sterimol/B4: 8.28784	Sterimol/L: 13.6699

Surface and Volume Properties
Accessible surface: 631.445	Positive charged surface: 473.365	Negative charged surface: 158.08	Volume: 348.75
Hydrophobic surface: 562.419	Hydrophilic surface: 69.026

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	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.