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MMsINC code: MMs03321848

Type: Neutral
Formula: C₁₄H₁₁Cl₂NO₂

SMILES:

Clc1cccc(Cl)c1NC(C(O)=O)c1ccccc1

InChI:

InChI=1/C14H11Cl2NO2/c15-10-7-4-8-11(16)13(10)17-12(14(18)19)9-5-2-1-3-6-9/h1-8,12,17H,(H,18,19)/t12-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=136.799 kcal/mol

Physical Properties
Molecular Weight: 296.153 g/mol	logS: -4.41366	SlogP: 4.3267	Reactive groups: 0

Topological Properties
Globularity: 0.13571	Sterimol/B1: 2.65201	Sterimol/B2: 4.19796	Sterimol/B3: 5.06497
Sterimol/B4: 5.38966	Sterimol/L: 13.9

Surface and Volume Properties
Accessible surface: 476.387	Positive charged surface: 209.107	Negative charged surface: 267.28	Volume: 253.625
Hydrophobic surface: 398.978	Hydrophilic surface: 77.409

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs03321849
PUBCHEM-ZINC05604192