MMsINC Database Search


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MMsINC code: MMs01372796

Type: Neutral
Formula: C₂₃H₁₉NO₂

SMILES:

o1c2c(cc1C(=O)N(C(c1ccccc1)c1ccccc1)C)cccc2

InChI:

InChI=1/C23H19NO2/c1-24(23(25)21-16-19-14-8-9-15-20(19)26-21)22(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-16,22H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.477 kcal/mol

Physical Properties
Molecular Weight: 341.41 g/mol	logS: -6.55907	SlogP: 5.3899	Reactive groups: 0

Topological Properties
Globularity: 0.114571	Sterimol/B1: 3.80077	Sterimol/B2: 3.94677	Sterimol/B3: 4.33216
Sterimol/B4: 7.48786	Sterimol/L: 15.554

Surface and Volume Properties
Accessible surface: 596.133	Positive charged surface: 345.993	Negative charged surface: 244.739	Volume: 341.375
Hydrophobic surface: 570.222	Hydrophilic surface: 25.911

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.