MMsINC Database Search


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MMsINC code: MMs01179963

Type: Neutral
Formula: C₂₃H₂₂N₂O₃

SMILES:

O1CCOc2c1cc(cc2)C(=O)N(Cc1ncccc1)CCc1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=178.28 kcal/mol

Physical Properties
Molecular Weight: 374.44 g/mol	logS: -4.16667	SlogP: 4.00427	Reactive groups: 0

Topological Properties
Globularity: 0.102745	Sterimol/B1: 2.40357	Sterimol/B2: 3.02701	Sterimol/B3: 4.64656
Sterimol/B4: 11.8205	Sterimol/L: 15.1142

Surface and Volume Properties
Accessible surface: 627.394	Positive charged surface: 414.492	Negative charged surface: 212.903	Volume: 365.625
Hydrophobic surface: 572.946	Hydrophilic surface: 54.448

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.