MMsINC Database Search


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MMsINC code: MMs02772937

Type: Neutral
Formula: C₂₃H₂₁NO₄

SMILES:

O(CC(OC)=O)c1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=132.063 kcal/mol

Physical Properties
Molecular Weight: 375.424 g/mol	logS: -5.51735	SlogP: 4.009	Reactive groups: 1

Topological Properties
Globularity: 0.0531887	Sterimol/B1: 3.72257	Sterimol/B2: 4.10375	Sterimol/B3: 5.25712
Sterimol/B4: 6.25831	Sterimol/L: 19.4436

Surface and Volume Properties
Accessible surface: 675.043	Positive charged surface: 418.207	Negative charged surface: 256.835	Volume: 365.375
Hydrophobic surface: 596.583	Hydrophilic surface: 78.46

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.