MMsINC Database Search


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MMsINC code: MMs01066136

Type: Neutral
Formula: C₂₄H₂₆N₂O₃

SMILES:

o1c(nc(COc2ccccc2)c1C)-c1ccc(cc1)C(=O)N1CCCCCC1

InChI:

InChI=1/C24H26N2O3/c1-18-22(17-28-21-9-5-4-6-10-21)25-23(29-18)19-11-13-20(14-12-19)24(27)26-15-7-2-3-8-16-26/h4-6,9-14H,2-3,7-8,15-17H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=114.443 kcal/mol

Physical Properties
Molecular Weight: 390.483 g/mol	logS: -6.16572	SlogP: 5.51162	Reactive groups: 0

Topological Properties
Globularity: 0.0424066	Sterimol/B1: 2.28557	Sterimol/B2: 2.64955	Sterimol/B3: 4.6326
Sterimol/B4: 8.06552	Sterimol/L: 20.7719

Surface and Volume Properties
Accessible surface: 700.938	Positive charged surface: 450.04	Negative charged surface: 250.898	Volume: 387.375
Hydrophobic surface: 634.944	Hydrophilic surface: 65.994

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.