MMsINC Database Search


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MMsINC code: MMs00249286

Type: Neutral
Formula: C₂₃H₂₆N₂O₄

SMILES:

O(C)c1ccccc1CN(CC1=Cc2cc(OCC)ccc2NC1=O)C(=O)CC

InChI:

InChI=1/C23H26N2O4/c1-4-22(26)25(14-16-8-6-7-9-21(16)28-3)15-18-12-17-13-19(29-5-2)10-11-20(17)24-23(18)27/h6-13H,4-5,14-15H2,1-3H3,(H,24,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.8145 kcal/mol

Physical Properties
Molecular Weight: 394.471 g/mol	logS: -4.69636	SlogP: 4.1346	Reactive groups: 0

Topological Properties
Globularity: 0.0621807	Sterimol/B1: 2.20767	Sterimol/B2: 3.61643	Sterimol/B3: 4.1937
Sterimol/B4: 9.57357	Sterimol/L: 18.0847

Surface and Volume Properties
Accessible surface: 670.585	Positive charged surface: 458.319	Negative charged surface: 212.266	Volume: 388
Hydrophobic surface: 537.103	Hydrophilic surface: 133.482

Pharmacophoric Properties
Hydrogen bond donors: 1	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.