MMsINC Database Search


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MMsINC code: MMs01510347

Type: Neutral
Formula: C₁₈H₁₅NO₅

SMILES:

O(C)c1ccccc1C(OCCN1C(=O)c2c(cccc2)C1=O)=O

InChI:

InChI=1/C18H15NO5/c1-23-15-9-5-4-8-14(15)18(22)24-11-10-19-16(20)12-6-2-3-7-13(12)17(19)21/h2-9H,10-11H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.048 kcal/mol

Physical Properties
Molecular Weight: 325.32 g/mol	logS: -4.16118	SlogP: 2.1482	Reactive groups: 0

Topological Properties
Globularity: 0.109086	Sterimol/B1: 2.1551	Sterimol/B2: 4.17793	Sterimol/B3: 5.53192
Sterimol/B4: 5.56866	Sterimol/L: 15.2727

Surface and Volume Properties
Accessible surface: 559.304	Positive charged surface: 353.22	Negative charged surface: 206.084	Volume: 299
Hydrophobic surface: 463.979	Hydrophilic surface: 95.325

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.