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MMsINC code: MMs02545892

Type: Neutral
Formula: C₁₃H₁₀Cl₂N₂O₃

SMILES:

Clc1cc(ccc1Cl)C(=O)Nc1cc(n(c1)C)C(O)=O

InChI:

InChI=1/C13H10Cl2N2O3/c1-17-6-8(5-11(17)13(19)20)16-12(18)7-2-3-9(14)10(15)4-7/h2-6H,1H3,(H,16,18)(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=43.9308 kcal/mol

Physical Properties
Molecular Weight: 313.14 g/mol	logS: -3.283	SlogP: 3.6416	Reactive groups: 0

Topological Properties
Globularity: 0.0035201	Sterimol/B1: 2.1023	Sterimol/B2: 2.51286	Sterimol/B3: 3.33115
Sterimol/B4: 6.00776	Sterimol/L: 16.5604

Surface and Volume Properties
Accessible surface: 509.101	Positive charged surface: 241.4	Negative charged surface: 267.701	Volume: 256.625
Hydrophobic surface: 354.711	Hydrophilic surface: 154.39

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

MMs02545893
OAKWOOD-ZINC02550640