MMsINC Database Search


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MMsINC code: MMs00061599

Type: Neutral
Formula: C₂₃H₂₁NO₂

SMILES:

OC1(N(C(C)c2ccccc2)C(=O)c2c1cccc2)Cc1ccccc1

InChI:

InChI=1/C23H21NO2/c1-17(19-12-6-3-7-13-19)24-22(25)20-14-8-9-15-21(20)23(24,26)16-18-10-4-2-5-11-18/h2-15,17,26H,16H2,1H3/t17-,23+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.454 kcal/mol

Physical Properties
Molecular Weight: 343.426 g/mol	logS: -5.32532	SlogP: 4.69837	Reactive groups: 0

Topological Properties
Globularity: 0.192709	Sterimol/B1: 3.02748	Sterimol/B2: 3.90897	Sterimol/B3: 5.60437
Sterimol/B4: 7.58796	Sterimol/L: 12.0573

Surface and Volume Properties
Accessible surface: 559.606	Positive charged surface: 319.991	Negative charged surface: 239.615	Volume: 341.375
Hydrophobic surface: 490.225	Hydrophilic surface: 69.381

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

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.