MMsINC Database Search


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MMsINC code: MMs01031628

Type: Neutral
Formula: C₂₄H₂₆N₂O₂

SMILES:

O(CCCCC)c1ccc(cc1)C(=O)N(Cc1ccccc1)c1ncccc1

InChI:

InChI=1/C24H26N2O2/c1-2-3-9-18-28-22-15-13-21(14-16-22)24(27)26(23-12-7-8-17-25-23)19-20-10-5-4-6-11-20/h4-8,10-17H,2-3,9,18-19H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=157.463 kcal/mol

Physical Properties
Molecular Weight: 374.484 g/mol	logS: -5.6797	SlogP: 5.764	Reactive groups: 0

Topological Properties
Globularity: 0.0263441	Sterimol/B1: 3.31796	Sterimol/B2: 3.84796	Sterimol/B3: 4.53372
Sterimol/B4: 7.15753	Sterimol/L: 20.6213

Surface and Volume Properties
Accessible surface: 680.951	Positive charged surface: 445.649	Negative charged surface: 235.302	Volume: 383.125
Hydrophobic surface: 617.69	Hydrophilic surface: 63.261

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.