MMsINC Database Search


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MMsINC code: MMs01715026

Type: Neutral
Formula: C₂₃H₂₃NO₄

SMILES:

O(CCOc1ccccc1)c1ccccc1C(=O)NCc1ccccc1OC

InChI:

InChI=1/C23H23NO4/c1-26-21-13-7-5-9-18(21)17-24-23(25)20-12-6-8-14-22(20)28-16-15-27-19-10-3-2-4-11-19/h2-14H,15-17H2,1H3,(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.942 kcal/mol

Physical Properties
Molecular Weight: 377.44 g/mol	logS: -5.24439	SlogP: 4.3494	Reactive groups: 0

Topological Properties
Globularity: 0.097374	Sterimol/B1: 2.35276	Sterimol/B2: 3.98508	Sterimol/B3: 7.18623
Sterimol/B4: 8.88151	Sterimol/L: 17.9751

Surface and Volume Properties
Accessible surface: 703.02	Positive charged surface: 458.036	Negative charged surface: 244.984	Volume: 375.125
Hydrophobic surface: 659.108	Hydrophilic surface: 43.912

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.