MMsINC Database Search


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MMsINC code: MMs01183662

Type: Neutral
Formula: C₂₄H₂₄N₂O₂

SMILES:

O1CCCC1C(=O)N(Cc1ccc(cc1)-c1ccccc1)Cc1ccncc1

InChI:

InChI=1/C24H24N2O2/c27-24(23-7-4-16-28-23)26(18-20-12-14-25-15-13-20)17-19-8-10-22(11-9-19)21-5-2-1-3-6-21/h1-3,5-6,8-15,23H,4,7,16-18H2/t23-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=115.153 kcal/mol

Physical Properties
Molecular Weight: 372.468 g/mol	logS: -5.05618	SlogP: 4.9892	Reactive groups: 0

Topological Properties
Globularity: 0.0788469	Sterimol/B1: 2.92463	Sterimol/B2: 4.74589	Sterimol/B3: 6.16258
Sterimol/B4: 6.59237	Sterimol/L: 18.0444

Surface and Volume Properties
Accessible surface: 644.459	Positive charged surface: 404.207	Negative charged surface: 229.703	Volume: 377.125
Hydrophobic surface: 576.45	Hydrophilic surface: 68.009

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.