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MMsINC code: MMs01627296

Type: Neutral
Formula: C₂₃H₂₁NO₄

SMILES:

O(CC(=O)Nc1cc(ccc1C)C(OC)=O)c1ccccc1-c1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=123.312 kcal/mol

Physical Properties
Molecular Weight: 375.424 g/mol	logS: -6.40027	SlogP: 4.46612	Reactive groups: 0

Topological Properties
Globularity: 0.0398226	Sterimol/B1: 2.10309	Sterimol/B2: 2.89794	Sterimol/B3: 4.07151
Sterimol/B4: 10.2459	Sterimol/L: 16.9659

Surface and Volume Properties
Accessible surface: 669.346	Positive charged surface: 424.101	Negative charged surface: 240.477	Volume: 365.625
Hydrophobic surface: 598.348	Hydrophilic surface: 70.998

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.