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MMsINC code: MMs01717032

Type: Neutral
Formula: C₂₁H₁₉NO₂

SMILES:

OC(=O)c1ccc(N(Cc2ccccc2)Cc2ccccc2)cc1

InChI:

InChI=1/C21H19NO2/c23-21(24)19-11-13-20(14-12-19)22(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18/h1-14H,15-16H2,(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.923 kcal/mol

Physical Properties
Molecular Weight: 317.388 g/mol	logS: -4.81749	SlogP: 5.1244	Reactive groups: 0

Topological Properties
Globularity: 0.120998	Sterimol/B1: 2.81938	Sterimol/B2: 3.07669	Sterimol/B3: 3.94679
Sterimol/B4: 10.7583	Sterimol/L: 14.0672

Surface and Volume Properties
Accessible surface: 562.266	Positive charged surface: 309.423	Negative charged surface: 252.843	Volume: 321.125
Hydrophobic surface: 452.445	Hydrophilic surface: 109.821

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs01717033
ENAMINE-ZINC06962186