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MMsINC code: MMs02886219

Type: Neutral
Formula: C₁₄H₁₁Cl₂NO₃

SMILES:

Clc1cc(O)cc(Cl)c1Nc1ccccc1CC(O)=O

InChI:

InChI=1/C14H11Cl2NO3/c15-10-6-9(18)7-11(16)14(10)17-12-4-2-1-3-8(12)5-13(19)20/h1-4,6-7,17-18H,5H2,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.7164 kcal/mol

Physical Properties
Molecular Weight: 312.152 g/mol	logS: -4.1427	SlogP: 4.06967	Reactive groups: 0

Topological Properties
Globularity: 0.183073	Sterimol/B1: 2.9383	Sterimol/B2: 3.12308	Sterimol/B3: 4.80958
Sterimol/B4: 7.11958	Sterimol/L: 12.6904

Surface and Volume Properties
Accessible surface: 468.293	Positive charged surface: 238.92	Negative charged surface: 229.373	Volume: 259.125
Hydrophobic surface: 325.242	Hydrophilic surface: 143.051

Pharmacophoric Properties
Hydrogen bond donors: 4	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

MMs02886220
PUBCHEM-ZINC02383046