MMsINC Database Search


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MMsINC code: MMs01149798

Type: Neutral
Formula: C₂₄H₂₈N₂O₂

SMILES:

O(C)c1ccc(cc1)-c1nc2c(cc(cc2)C)c(c1)C(=O)NCCCCCC

InChI:

InChI=1/C24H28N2O2/c1-4-5-6-7-14-25-24(27)21-16-23(18-9-11-19(28-3)12-10-18)26-22-13-8-17(2)15-20(21)22/h8-13,15-16H,4-7,14H2,1-3H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.6894 kcal/mol

Physical Properties
Molecular Weight: 376.5 g/mol	logS: -7.11367	SlogP: 5.52892	Reactive groups: 0

Topological Properties
Globularity: 0.0119005	Sterimol/B1: 2.42793	Sterimol/B2: 2.63552	Sterimol/B3: 7.97756
Sterimol/B4: 9.31168	Sterimol/L: 18.1713

Surface and Volume Properties
Accessible surface: 720.531	Positive charged surface: 493.485	Negative charged surface: 215.934	Volume: 391.625
Hydrophobic surface: 632.095	Hydrophilic surface: 88.436

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.