MMsINC Database Search


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MMsINC code: MMs00670973

Type: Neutral
Formula: C₂₃H₂₁NO₅

SMILES:

O(Cc1ccc(cc1)C(=O)Nc1ccccc1C(OC)=O)c1ccccc1OC

InChI:

InChI=1/C23H21NO5/c1-27-20-9-5-6-10-21(20)29-15-16-11-13-17(14-12-16)22(25)24-19-8-4-3-7-18(19)23(26)28-2/h3-14H,15H2,1-2H3,(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=132.034 kcal/mol

Physical Properties
Molecular Weight: 391.423 g/mol	logS: -5.60526	SlogP: 4.5795	Reactive groups: 0

Topological Properties
Globularity: 0.0544037	Sterimol/B1: 2.1951	Sterimol/B2: 3.93631	Sterimol/B3: 5.83847
Sterimol/B4: 6.89003	Sterimol/L: 20.2703

Surface and Volume Properties
Accessible surface: 697.431	Positive charged surface: 457.145	Negative charged surface: 240.286	Volume: 373.125
Hydrophobic surface: 621.673	Hydrophilic surface: 75.758

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.