MMsINC Database Search


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MMsINC code: MMs01431149

Type: Neutral
Formula: C₂₃H₂₄N₂O₂

SMILES:

O(C)c1ccc(cc1)CNC(=O)c1c2CCCCCc2nc2c1cccc2

InChI:

InChI=1/C23H24N2O2/c1-27-17-13-11-16(12-14-17)15-24-23(26)22-18-7-3-2-4-9-20(18)25-21-10-6-5-8-19(21)22/h5-6,8,10-14H,2-4,7,9,15H2,1H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.316 kcal/mol

Physical Properties
Molecular Weight: 360.457 g/mol	logS: -5.54186	SlogP: 4.70864	Reactive groups: 0

Topological Properties
Globularity: 0.0939525	Sterimol/B1: 2.08481	Sterimol/B2: 4.61361	Sterimol/B3: 5.96153
Sterimol/B4: 8.0418	Sterimol/L: 16.3565

Surface and Volume Properties
Accessible surface: 644.482	Positive charged surface: 421.575	Negative charged surface: 217.783	Volume: 359.75
Hydrophobic surface: 576.609	Hydrophilic surface: 67.873

Pharmacophoric Properties
Hydrogen bond donors: 1	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.