MMsINC Database Search


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MMsINC code: MMs00797745

Type: Neutral
Formula: C₂₃H₂₂N₂O₂

SMILES:

O=C(N(Cc1ccccc1)Cc1ccccc1)c1cc(NC(=O)C)ccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.081 kcal/mol

Physical Properties
Molecular Weight: 358.441 g/mol	logS: -5.17027	SlogP: 5.0204	Reactive groups: 0

Topological Properties
Globularity: 0.140335	Sterimol/B1: 2.21753	Sterimol/B2: 3.68513	Sterimol/B3: 6.69134
Sterimol/B4: 8.26347	Sterimol/L: 16.4419

Surface and Volume Properties
Accessible surface: 628.341	Positive charged surface: 357.751	Negative charged surface: 270.59	Volume: 363.75
Hydrophobic surface: 542.677	Hydrophilic surface: 85.664

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.