MMsINC Database Search


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MMsINC code: MMs02763600

Type: Neutral
Formula: C₂₃H₂₄N₂O₂

SMILES:

O1CCN(CC1)C(=O)c1cc(nc2c1cccc2)-c1ccc(cc1)CCC

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=112.542 kcal/mol

Physical Properties
Molecular Weight: 360.457 g/mol	logS: -6.20458	SlogP: 4.32667	Reactive groups: 0

Topological Properties
Globularity: 0.0477407	Sterimol/B1: 3.37931	Sterimol/B2: 4.45091	Sterimol/B3: 4.47197
Sterimol/B4: 7.84306	Sterimol/L: 17.192

Surface and Volume Properties
Accessible surface: 643.469	Positive charged surface: 424.599	Negative charged surface: 209.153	Volume: 362.875
Hydrophobic surface: 562.572	Hydrophilic surface: 80.897

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.