MMsINC Database Search


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MMsINC code: MMs00668588

Type: Neutral
Formula: C₂₃H₂₁NO₃

SMILES:

O(C(c1ccccc1)c1ccccc1)C(=O)c1ccc(NC(=O)CC)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.3515 kcal/mol

Physical Properties
Molecular Weight: 359.425 g/mol	logS: -5.71363	SlogP: 5.077	Reactive groups: 0

Topological Properties
Globularity: 0.0825706	Sterimol/B1: 4.07664	Sterimol/B2: 4.6346	Sterimol/B3: 4.80947
Sterimol/B4: 6.58978	Sterimol/L: 17.497

Surface and Volume Properties
Accessible surface: 656.674	Positive charged surface: 382.257	Negative charged surface: 274.417	Volume: 361.125
Hydrophobic surface: 564.218	Hydrophilic surface: 92.456

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.