MMsINC Database Search


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MMsINC code: MMs01263919

Type: Neutral
Formula: C₂₃H₂₁NO₄

SMILES:

O(C)c1ccc(cc1COC(=O)c1ccccc1Nc1ccccc1)C(=O)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=128.379 kcal/mol

Physical Properties
Molecular Weight: 375.424 g/mol	logS: -5.51748	SlogP: 5.2648	Reactive groups: 0

Topological Properties
Globularity: 0.0760615	Sterimol/B1: 3.73602	Sterimol/B2: 3.79196	Sterimol/B3: 4.37146
Sterimol/B4: 8.86084	Sterimol/L: 15.2724

Surface and Volume Properties
Accessible surface: 659.256	Positive charged surface: 410.757	Negative charged surface: 248.499	Volume: 365.875
Hydrophobic surface: 576.668	Hydrophilic surface: 82.588

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.