MMsINC Database Search


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MMsINC code: MMs01834791

Type: Neutral
Formula: C₂₀H₂₃NO₅

SMILES:

O(C)c1cc(OC)ccc1C(=O)N1CCc2cc(OC)c(OC)cc2C1

InChI:

InChI=1/C20H23NO5/c1-23-15-5-6-16(17(11-15)24-2)20(22)21-8-7-13-9-18(25-3)19(26-4)10-14(13)12-21/h5-6,9-11H,7-8,12H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=130.021 kcal/mol

Physical Properties
Molecular Weight: 357.406 g/mol	logS: -3.57831	SlogP: 3.18587	Reactive groups: 0

Topological Properties
Globularity: 0.141538	Sterimol/B1: 3.69345	Sterimol/B2: 4.41802	Sterimol/B3: 4.45291
Sterimol/B4: 7.98421	Sterimol/L: 16.219

Surface and Volume Properties
Accessible surface: 630.425	Positive charged surface: 510.476	Negative charged surface: 119.949	Volume: 343.5
Hydrophobic surface: 568.816	Hydrophilic surface: 61.609

Pharmacophoric Properties
Hydrogen bond donors: 0	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.