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MMsINC code: MMs02552276

Type: Neutral
Formula: C₁₈H₁₄ClNO₄

SMILES:

Clc1ccc(cc1)C(=O)n1cc(c2cc(OC)ccc12)CC(O)=O

InChI:

InChI=1/C18H14ClNO4/c1-24-14-6-7-16-15(9-14)12(8-17(21)22)10-20(16)18(23)11-2-4-13(19)5-3-11/h2-7,9-10H,8H2,1H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.3489 kcal/mol

Physical Properties
Molecular Weight: 343.766 g/mol	logS: -4.53954	SlogP: 3.61887	Reactive groups: 0

Topological Properties
Globularity: 0.110796	Sterimol/B1: 2.18207	Sterimol/B2: 3.95029	Sterimol/B3: 4.06792
Sterimol/B4: 9.76071	Sterimol/L: 15.1336

Surface and Volume Properties
Accessible surface: 568.307	Positive charged surface: 301.15	Negative charged surface: 264.628	Volume: 305.75
Hydrophobic surface: 425.008	Hydrophilic surface: 143.299

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

MMs02552277
OAKWOOD-ZINC04298622