MMsINC Database Search


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MMsINC code: MMs01189456

Type: Neutral
Formula: C₂₄H₂₄N₂O₂

SMILES:

O1CCCC1C(=O)N(Cc1ccccc1-c1ccccc1)Cc1ncccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=114.626 kcal/mol

Physical Properties
Molecular Weight: 372.468 g/mol	logS: -5.2091	SlogP: 4.9892	Reactive groups: 0

Topological Properties
Globularity: 0.436031	Sterimol/B1: 2.61286	Sterimol/B2: 3.49505	Sterimol/B3: 7.87884
Sterimol/B4: 8.78076	Sterimol/L: 13.6003

Surface and Volume Properties
Accessible surface: 638.505	Positive charged surface: 404.161	Negative charged surface: 231.54	Volume: 375
Hydrophobic surface: 592.921	Hydrophilic surface: 45.584

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.