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MMsINC code: MMs00734022

Type: Neutral
Formula: C₁₉H₁₈N₂O₄

SMILES:

o1cccc1C(=O)Nn1c(ccc1CCC(O)=O)-c1ccc(cc1)C

InChI:

InChI=1/C19H18N2O4/c1-13-4-6-14(7-5-13)16-10-8-15(9-11-18(22)23)21(16)20-19(24)17-3-2-12-25-17/h2-8,10,12H,9,11H2,1H3,(H,20,24)(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=41.1271 kcal/mol

Physical Properties
Molecular Weight: 338.363 g/mol	logS: -4.46088	SlogP: 3.45759	Reactive groups: 0

Topological Properties
Globularity: 0.0523577	Sterimol/B1: 3.3492	Sterimol/B2: 3.446	Sterimol/B3: 4.66798
Sterimol/B4: 8.1298	Sterimol/L: 16.551

Surface and Volume Properties
Accessible surface: 590.838	Positive charged surface: 320.614	Negative charged surface: 270.223	Volume: 320.5
Hydrophobic surface: 443.892	Hydrophilic surface: 146.946

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs00734023
CHEMBRIDGE-ZINC02881303