MMsINC Database Search


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MMsINC code: MMs00651539

Type: Neutral
Formula: C₂₄H₂₆N₂O₃

SMILES:

O(C)c1cc(OC)ccc1-c1nc2c(cccc2)c(c1)C(=O)N1CCCCCC1

InChI:

InChI=1/C24H26N2O3/c1-28-17-11-12-19(23(15-17)29-2)22-16-20(18-9-5-6-10-21(18)25-22)24(27)26-13-7-3-4-8-14-26/h5-6,9-12,15-16H,3-4,7-8,13-14H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=129.481 kcal/mol

Physical Properties
Molecular Weight: 390.483 g/mol	logS: -5.46542	SlogP: 4.9352	Reactive groups: 0

Topological Properties
Globularity: 0.0720221	Sterimol/B1: 1.9945	Sterimol/B2: 3.78845	Sterimol/B3: 4.46103
Sterimol/B4: 10.8125	Sterimol/L: 16.2873

Surface and Volume Properties
Accessible surface: 660.018	Positive charged surface: 466.899	Negative charged surface: 182.299	Volume: 386
Hydrophobic surface: 606.715	Hydrophilic surface: 53.303

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.