MMsINC Database Search


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MMsINC code: MMs01700522

Type: Neutral
Formula: C₂₃H₂₂N₂O₂

SMILES:

O=C(C)c1ccccc1NCC(=O)Nc1ccccc1Cc1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=131.338 kcal/mol

Physical Properties
Molecular Weight: 358.441 g/mol	logS: -5.29297	SlogP: 4.53057	Reactive groups: 0

Topological Properties
Globularity: 0.112521	Sterimol/B1: 2.22281	Sterimol/B2: 4.70513	Sterimol/B3: 6.3008
Sterimol/B4: 6.65211	Sterimol/L: 15.7721

Surface and Volume Properties
Accessible surface: 631.924	Positive charged surface: 369.429	Negative charged surface: 262.495	Volume: 360.625
Hydrophobic surface: 565.931	Hydrophilic surface: 65.993

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.