MMsINC Database Search


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MMsINC code: MMs01327643

Type: Neutral
Formula: C₂₃H₂₁NO₄

SMILES:

O(c1cc(ccc1)C(OCC(=O)N(Cc1ccccc1)C)=O)c1ccccc1

InChI:

InChI=1/C23H21NO4/c1-24(16-18-9-4-2-5-10-18)22(25)17-27-23(26)19-11-8-14-21(15-19)28-20-12-6-3-7-13-20/h2-15H,16-17H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.1619 kcal/mol

Physical Properties
Molecular Weight: 375.424 g/mol	logS: -5.3838	SlogP: 4.5607	Reactive groups: 0

Topological Properties
Globularity: 0.037701	Sterimol/B1: 2.311	Sterimol/B2: 3.44924	Sterimol/B3: 3.8669
Sterimol/B4: 7.80346	Sterimol/L: 20.2641

Surface and Volume Properties
Accessible surface: 677.969	Positive charged surface: 406.78	Negative charged surface: 271.188	Volume: 371.125
Hydrophobic surface: 607.585	Hydrophilic surface: 70.384

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.