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MMsINC code: MMs01563526

Type: Neutral
Formula: C₂₃H₂₂N₂O₂

SMILES:

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

InChI:

InChI=1/C23H22N2O2/c1-17(26)20-13-8-14-21(15-20)24-16-22(27)25-23(18-9-4-2-5-10-18)19-11-6-3-7-12-19/h2-15,23-24H,16H2,1H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.746 kcal/mol

Physical Properties
Molecular Weight: 358.441 g/mol	logS: -5.20198	SlogP: 4.3024	Reactive groups: 0

Topological Properties
Globularity: 0.0722228	Sterimol/B1: 3.54201	Sterimol/B2: 4.93364	Sterimol/B3: 5.39683
Sterimol/B4: 5.77416	Sterimol/L: 18.652

Surface and Volume Properties
Accessible surface: 666.341	Positive charged surface: 369.526	Negative charged surface: 296.816	Volume: 362.375
Hydrophobic surface: 572.401	Hydrophilic surface: 93.94

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.