MMsINC Database Search


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MMsINC code: MMs00686557

Type: Neutral
Formula: C₂₄H₂₆N₂O₂

SMILES:

O(CC)c1ccc(cc1)-c1nc2c(cccc2)c(c1)C(=O)N1CCCCCC1

InChI:

InChI=1/C24H26N2O2/c1-2-28-19-13-11-18(12-14-19)23-17-21(20-9-5-6-10-22(20)25-23)24(27)26-15-7-3-4-8-16-26/h5-6,9-14,17H,2-4,7-8,15-16H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.565 kcal/mol

Physical Properties
Molecular Weight: 374.484 g/mol	logS: -5.74225	SlogP: 5.3167	Reactive groups: 0

Topological Properties
Globularity: 0.0575688	Sterimol/B1: 3.52065	Sterimol/B2: 4.05499	Sterimol/B3: 4.05942
Sterimol/B4: 8.87884	Sterimol/L: 17.5048

Surface and Volume Properties
Accessible surface: 658.172	Positive charged surface: 425.619	Negative charged surface: 222.288	Volume: 377.125
Hydrophobic surface: 584.524	Hydrophilic surface: 73.648

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.