MMsINC Database Search


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MMsINC code: MMs00499691

Type: Neutral
Formula: C₂₃H₂₁NO₂

SMILES:

OC1(N(Cc2ccc(cc2)C)C(=O)c2c1cccc2)Cc1ccccc1

InChI:

InChI=1/C23H21NO2/c1-17-11-13-19(14-12-17)16-24-22(25)20-9-5-6-10-21(20)23(24,26)15-18-7-3-2-4-8-18/h2-14,26H,15-16H2,1H3/t23-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.7944 kcal/mol

Physical Properties
Molecular Weight: 343.426 g/mol	logS: -5.47203	SlogP: 4.61669	Reactive groups: 0

Topological Properties
Globularity: 0.11762	Sterimol/B1: 2.26346	Sterimol/B2: 4.7817	Sterimol/B3: 5.72418
Sterimol/B4: 6.98349	Sterimol/L: 15.6554

Surface and Volume Properties
Accessible surface: 577.309	Positive charged surface: 337.102	Negative charged surface: 240.207	Volume: 342.75
Hydrophobic surface: 523.214	Hydrophilic surface: 54.095

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.