MMsINC Database Search


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MMsINC code: MMs02757764

Type: Neutral
Formula: C₂₃H₂₁NO₅

SMILES:

O(C)c1ccccc1C(=O)Nc1ccc(OC(=O)c2ccccc2OC)cc1C

InChI:

InChI=1/C23H21NO5/c1-15-14-16(29-23(26)18-9-5-7-11-21(18)28-3)12-13-19(15)24-22(25)17-8-4-6-10-20(17)27-2/h4-14H,1-3H3,(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=150.517 kcal/mol

Physical Properties
Molecular Weight: 391.423 g/mol	logS: -5.73016	SlogP: 4.48372	Reactive groups: 0

Topological Properties
Globularity: 0.0685085	Sterimol/B1: 2.34531	Sterimol/B2: 4.50613	Sterimol/B3: 5.30678
Sterimol/B4: 8.7131	Sterimol/L: 20.3749

Surface and Volume Properties
Accessible surface: 685.411	Positive charged surface: 454.098	Negative charged surface: 231.313	Volume: 373.625
Hydrophobic surface: 626.79	Hydrophilic surface: 58.621

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.