MMsINC Database Search


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MMsINC code: MMs01474483

Type: Neutral
Formula: C₂₃H₂₄N₂O₄

SMILES:

o1nc(-c2ccccc2)c(C(OCC(=O)N(Cc2ccccc2)C(C)C)=O)c1C

InChI:

InChI=1/C23H24N2O4/c1-16(2)25(14-18-10-6-4-7-11-18)20(26)15-28-23(27)21-17(3)29-24-22(21)19-12-8-5-9-13-19/h4-13,16H,14-15H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.953 kcal/mol

Physical Properties
Molecular Weight: 392.455 g/mol	logS: -5.61043	SlogP: 4.51042	Reactive groups: 0

Topological Properties
Globularity: 0.121499	Sterimol/B1: 2.08591	Sterimol/B2: 2.94895	Sterimol/B3: 5.64168
Sterimol/B4: 9.93464	Sterimol/L: 15.0394

Surface and Volume Properties
Accessible surface: 676.606	Positive charged surface: 366.018	Negative charged surface: 310.588	Volume: 386
Hydrophobic surface: 555.658	Hydrophilic surface: 120.948

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.