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MMsINC code: MMs01014748

Type: Neutral
Formula: C₁₈H₁₅NO₄

SMILES:

O(C)c1cc2n(CC(=O)c3ccccc3)c(cc2cc1)C(O)=O

InChI:

InChI=1/C18H15NO4/c1-23-14-8-7-13-9-16(18(21)22)19(15(13)10-14)11-17(20)12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.9294 kcal/mol

Physical Properties
Molecular Weight: 309.321 g/mol	logS: -3.84074	SlogP: 3.4974	Reactive groups: 0

Topological Properties
Globularity: 0.0734069	Sterimol/B1: 2.54854	Sterimol/B2: 3.42878	Sterimol/B3: 4.03124
Sterimol/B4: 9.24992	Sterimol/L: 14.9868

Surface and Volume Properties
Accessible surface: 542.445	Positive charged surface: 318.367	Negative charged surface: 218.115	Volume: 290.25
Hydrophobic surface: 422.983	Hydrophilic surface: 119.462

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs01014749
CHEMDIV-ZINC06751684