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MMsINC code: MMs00830928

Type: Neutral
Formula: C₁₆H₁₀ClNO₂

SMILES:

Clc1cc2c(nc(cc2C(O)=O)-c2ccccc2)cc1

InChI:

InChI=1/C16H10ClNO2/c17-11-6-7-14-12(8-11)13(16(19)20)9-15(18-14)10-4-2-1-3-5-10/h1-9H,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.1647 kcal/mol

Physical Properties
Molecular Weight: 283.714 g/mol	logS: -5.07229	SlogP: 4.2534	Reactive groups: 0

Topological Properties
Globularity: 0.000103207	Sterimol/B1: 2.10621	Sterimol/B2: 2.10881	Sterimol/B3: 4.37389
Sterimol/B4: 6.32958	Sterimol/L: 15.4152

Surface and Volume Properties
Accessible surface: 488.734	Positive charged surface: 214.566	Negative charged surface: 263.097	Volume: 253.875
Hydrophobic surface: 379.351	Hydrophilic surface: 109.383

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

MMs00830929
CHEMDIV-ZINC00076315