MMsINC Database Search


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MMsINC code: MMs01579044

Type: Neutral
Formula: C₂₃H₂₁NO₄

SMILES:

O(C(=O)c1nc(ccc1)C(OCc1ccc(cc1)C)=O)Cc1ccc(cc1)C

InChI:

InChI=1/C23H21NO4/c1-16-6-10-18(11-7-16)14-27-22(25)20-4-3-5-21(24-20)23(26)28-15-19-12-8-17(2)9-13-19/h3-13H,14-15H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.862 kcal/mol

Physical Properties
Molecular Weight: 375.424 g/mol	logS: -5.67968	SlogP: 4.94524	Reactive groups: 0

Topological Properties
Globularity: 0.0918447	Sterimol/B1: 2.91607	Sterimol/B2: 3.61817	Sterimol/B3: 3.61819
Sterimol/B4: 8.53458	Sterimol/L: 15.1788

Surface and Volume Properties
Accessible surface: 685.55	Positive charged surface: 398.636	Negative charged surface: 286.914	Volume: 368.5
Hydrophobic surface: 571.844	Hydrophilic surface: 113.706

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.