MMsINC Database Search


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MMsINC code: MMs00917463

Type: Neutral
Formula: C₂₄H₂₆N₂O₂

SMILES:

O(C)c1ccc(NC(=O)c2ccc(cc2)-c2ncc(cc2)CCCCC)cc1

InChI:

InChI=1/C24H26N2O2/c1-3-4-5-6-18-7-16-23(25-17-18)19-8-10-20(11-9-19)24(27)26-21-12-14-22(28-2)15-13-21/h7-17H,3-6H2,1-2H3,(H,26,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.444 kcal/mol

Physical Properties
Molecular Weight: 374.484 g/mol	logS: -6.76364	SlogP: 5.74217	Reactive groups: 0

Topological Properties
Globularity: 0.0162332	Sterimol/B1: 2.43896	Sterimol/B2: 3.66439	Sterimol/B3: 4.29221
Sterimol/B4: 4.51912	Sterimol/L: 25.8467

Surface and Volume Properties
Accessible surface: 711.14	Positive charged surface: 476.182	Negative charged surface: 229.78	Volume: 386.625
Hydrophobic surface: 629.455	Hydrophilic surface: 81.685

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.