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MMsINC code: MMs00236056

Type: Neutral
Formula: C₂₁H₁₆ClNO₃

SMILES:

Clc1cccc(NC(=O)c2ccccc2-c2ccccc2C(O)=O)c1C

InChI:

InChI=1/C21H16ClNO3/c1-13-18(22)11-6-12-19(13)23-20(24)16-9-4-2-7-14(16)15-8-3-5-10-17(15)21(25)26/h2-12H,1H3,(H,23,24)(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=123.386 kcal/mol

Physical Properties
Molecular Weight: 365.816 g/mol	logS: -6.64541	SlogP: 5.26592	Reactive groups: 0

Topological Properties
Globularity: 0.159034	Sterimol/B1: 3.63814	Sterimol/B2: 4.43745	Sterimol/B3: 5.70526
Sterimol/B4: 7.36382	Sterimol/L: 14.1218

Surface and Volume Properties
Accessible surface: 579.938	Positive charged surface: 292.003	Negative charged surface: 286.558	Volume: 331.875
Hydrophobic surface: 504.142	Hydrophilic surface: 75.796

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs00236057
ASINEX-ZINC01328110