MMsINC Database Search


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MMsINC code: MMs00707852

Type: Neutral
Formula: C₂₃H₁₉NO₅

SMILES:

O(C(=O)c1cc2c(cc1)C(=O)N(CCCOC)C2=O)c1cc2c(cc1)cccc2

InChI:

InChI=1/C23H19NO5/c1-28-12-4-11-24-21(25)19-10-8-17(14-20(19)22(24)26)23(27)29-18-9-7-15-5-2-3-6-16(15)13-18/h2-3,5-10,13-14H,4,11-12H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.1696 kcal/mol

Physical Properties
Molecular Weight: 389.407 g/mol	logS: -6.27108	SlogP: 3.6915	Reactive groups: 0

Topological Properties
Globularity: 0.0263786	Sterimol/B1: 2.79154	Sterimol/B2: 3.33448	Sterimol/B3: 3.73393
Sterimol/B4: 5.55857	Sterimol/L: 23.1154

Surface and Volume Properties
Accessible surface: 679.06	Positive charged surface: 413.502	Negative charged surface: 254.043	Volume: 364.75
Hydrophobic surface: 560.548	Hydrophilic surface: 118.512

Pharmacophoric Properties
Hydrogen bond donors: 0	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.