MMsINC Database Search


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MMsINC code: MMs01508042

Type: Neutral
Formula: C₂₃H₂₁NO₃

SMILES:

O(C(=O)c1cc(NC(=O)CC(c2ccccc2)c2ccccc2)ccc1)C

InChI:

InChI=1/C23H21NO3/c1-27-23(26)19-13-8-14-20(15-19)24-22(25)16-21(17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2-15,21H,16H2,1H3,(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.167 kcal/mol

Physical Properties
Molecular Weight: 359.425 g/mol	logS: -5.32245	SlogP: 4.6339	Reactive groups: 0

Topological Properties
Globularity: 0.171456	Sterimol/B1: 2.96039	Sterimol/B2: 3.49289	Sterimol/B3: 7.09556
Sterimol/B4: 7.23363	Sterimol/L: 18.0571

Surface and Volume Properties
Accessible surface: 656.769	Positive charged surface: 408.508	Negative charged surface: 248.261	Volume: 355.625
Hydrophobic surface: 585.884	Hydrophilic surface: 70.885

Pharmacophoric Properties
Hydrogen bond donors: 1	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.