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MMsINC code: MMs02890863

Type: Neutral
Formula: C₂₃H₂₄N₂O₄

SMILES:

O(CCNCC(O)COc1c2c3c([nH]c2ccc1)cccc3)c1ccccc1O

InChI:

InChI=1/C23H24N2O4/c26-16(14-24-12-13-28-21-10-4-3-9-20(21)27)15-29-22-11-5-8-19-23(22)17-6-1-2-7-18(17)25-19/h1-11,16,24-27H,12-15H2/t16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.089 kcal/mol

Physical Properties
Molecular Weight: 392.455 g/mol	logS: -4.61901	SlogP: 3.435	Reactive groups: 0

Topological Properties
Globularity: 0.0374798	Sterimol/B1: 2.79589	Sterimol/B2: 3.03643	Sterimol/B3: 5.1134
Sterimol/B4: 8.91614	Sterimol/L: 20.0094

Surface and Volume Properties
Accessible surface: 713.897	Positive charged surface: 452.607	Negative charged surface: 250.433	Volume: 381.375
Hydrophobic surface: 586.608	Hydrophilic surface: 127.289

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 5	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs02890864
PUBCHEM-ZINC02509755