MMsINC Database Search


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MMsINC code: MMs01646804

Type: Neutral
Formula: C₂₃H₂₂N₂O₃

SMILES:

O(Cc1ccccc1)c1ccc(NC(=O)CNC(=O)Cc2ccccc2)cc1

InChI:

InChI=1/C23H22N2O3/c26-22(15-18-7-3-1-4-8-18)24-16-23(27)25-20-11-13-21(14-12-20)28-17-19-9-5-2-6-10-19/h1-14H,15-17H2,(H,24,26)(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.649 kcal/mol

Physical Properties
Molecular Weight: 374.44 g/mol	logS: -5.40719	SlogP: 3.82937	Reactive groups: 0

Topological Properties
Globularity: 0.0255721	Sterimol/B1: 3.45277	Sterimol/B2: 3.78678	Sterimol/B3: 3.90712
Sterimol/B4: 4.10611	Sterimol/L: 24.7059

Surface and Volume Properties
Accessible surface: 713.388	Positive charged surface: 430.615	Negative charged surface: 282.773	Volume: 370.125
Hydrophobic surface: 610.875	Hydrophilic surface: 102.513

Pharmacophoric Properties
Hydrogen bond donors: 2	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.