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MMsINC code: MMs02357615

Type: Neutral
Formula: C₁₄H₁₂ClNO₂

SMILES:

Clc1ccc(NC(C(O)=O)c2ccccc2)cc1

InChI:

InChI=1/C14H12ClNO2/c15-11-6-8-12(9-7-11)16-13(14(17)18)10-4-2-1-3-5-10/h1-9,13,16H,(H,17,18)/t13-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.732 kcal/mol

Physical Properties
Molecular Weight: 261.708 g/mol	logS: -3.67937	SlogP: 3.6733	Reactive groups: 0

Topological Properties
Globularity: 0.10947	Sterimol/B1: 2.87304	Sterimol/B2: 3.16107	Sterimol/B3: 4.67854
Sterimol/B4: 5.08971	Sterimol/L: 15.1621

Surface and Volume Properties
Accessible surface: 478.284	Positive charged surface: 219.181	Negative charged surface: 259.102	Volume: 239.625
Hydrophobic surface: 390.868	Hydrophilic surface: 87.416

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

MMs02357616
NCID-ZINC01735803