MMsINC Database Search


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MMsINC code: MMs00661638

Type: Neutral
Formula: C₂₃H₂₂N₂O₂

SMILES:

O=C(Nc1cc(C)c(NC(=O)c2ccccc2)cc1)c1ccc(cc1C)C

InChI:

InChI=1/C23H22N2O2/c1-15-9-11-20(16(2)13-15)23(27)24-19-10-12-21(17(3)14-19)25-22(26)18-7-5-4-6-8-18/h4-14H,1-3H3,(H,24,27)(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=127.743 kcal/mol

Physical Properties
Molecular Weight: 358.441 g/mol	logS: -6.43317	SlogP: 5.11646	Reactive groups: 0

Topological Properties
Globularity: 0.0212387	Sterimol/B1: 2.62985	Sterimol/B2: 3.71801	Sterimol/B3: 4.79238
Sterimol/B4: 5.0469	Sterimol/L: 21.4944

Surface and Volume Properties
Accessible surface: 651.683	Positive charged surface: 374.78	Negative charged surface: 276.903	Volume: 362.625
Hydrophobic surface: 595.598	Hydrophilic surface: 56.085

Pharmacophoric Properties
Hydrogen bond donors: 2	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.