MMsINC Database Search


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MMsINC code: MMs00655754

Type: Neutral
Formula: C₂₃H₂₁NO₃

SMILES:

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

InChI:

InChI=1/C23H21NO3/c1-2-27-23(26)19-14-9-15-20(16-19)24-22(25)21(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-16,21H,2H2,1H3,(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=114.586 kcal/mol

Physical Properties
Molecular Weight: 359.425 g/mol	logS: -5.76774	SlogP: 4.6339	Reactive groups: 0

Topological Properties
Globularity: 0.147099	Sterimol/B1: 4.34782	Sterimol/B2: 4.94122	Sterimol/B3: 5.21789
Sterimol/B4: 6.02901	Sterimol/L: 16.2136

Surface and Volume Properties
Accessible surface: 649.264	Positive charged surface: 387.115	Negative charged surface: 262.15	Volume: 358.875
Hydrophobic surface: 559.216	Hydrophilic surface: 90.048

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.