MMsINC Database Search


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MMsINC code: MMs02569792

Type: Neutral
Formula: C₂₃H₂₄N₂O₂

SMILES:

O(Cc1ccccc1)c1ccc(NCC(=O)Nc2ccc(cc2)CC)cc1

InChI:

InChI=1/C23H24N2O2/c1-2-18-8-10-21(11-9-18)25-23(26)16-24-20-12-14-22(15-13-20)27-17-19-6-4-3-5-7-19/h3-15,24H,2,16-17H2,1H3,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.289 kcal/mol

Physical Properties
Molecular Weight: 360.457 g/mol	logS: -5.98519	SlogP: 5.14497	Reactive groups: 0

Topological Properties
Globularity: 0.0196961	Sterimol/B1: 2.67631	Sterimol/B2: 4.11631	Sterimol/B3: 4.26235
Sterimol/B4: 4.34107	Sterimol/L: 24.8101

Surface and Volume Properties
Accessible surface: 698.77	Positive charged surface: 431.417	Negative charged surface: 267.352	Volume: 371.875
Hydrophobic surface: 600.274	Hydrophilic surface: 98.496

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: no related molecules available.