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MMsINC code: MMs02850269

Type: Neutral
Formula: C₁₈H₁₄ClNO₃

SMILES:

Clc1ccc(cc1)C(=O)c1c2n(C=CC=C2)c(CC(O)=O)c1C

InChI:

InChI=1/C18H14ClNO3/c1-11-15(10-16(21)22)20-9-3-2-4-14(20)17(11)18(23)12-5-7-13(19)8-6-12/h2-9H,10H2,1H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.111 kcal/mol

Physical Properties
Molecular Weight: 327.767 g/mol	logS: -3.92718	SlogP: 3.80549	Reactive groups: 0

Topological Properties
Globularity: 0.192083	Sterimol/B1: 2.55553	Sterimol/B2: 2.76628	Sterimol/B3: 5.99279
Sterimol/B4: 8.22408	Sterimol/L: 13.6758

Surface and Volume Properties
Accessible surface: 542.284	Positive charged surface: 249.867	Negative charged surface: 292.417	Volume: 297
Hydrophobic surface: 424.607	Hydrophilic surface: 117.677

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs02850270
PUBCHEM-ZINC02012913