MMsINC Database Search


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MMsINC code: MMs01189767

Type: Neutral
Formula: C₂₄H₂₄N₂O₂

SMILES:

O1CCCC1C(=O)N(Cc1ccc(cc1)-c1ccccc1)Cc1ncccc1

InChI:

InChI=1/C24H24N2O2/c27-24(23-10-6-16-28-23)26(18-22-9-4-5-15-25-22)17-19-11-13-21(14-12-19)20-7-2-1-3-8-20/h1-5,7-9,11-15,23H,6,10,16-18H2/t23-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=126.369 kcal/mol

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

Topological Properties
Globularity: 0.0556433	Sterimol/B1: 2.62431	Sterimol/B2: 4.56947	Sterimol/B3: 6.14911
Sterimol/B4: 6.57982	Sterimol/L: 18.0157

Surface and Volume Properties
Accessible surface: 649.266	Positive charged surface: 402.473	Negative charged surface: 234.751	Volume: 376.75
Hydrophobic surface: 596.107	Hydrophilic surface: 53.159

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.