MMsINC Database Search


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MMsINC code: MMs00192815

Type: Neutral
Formula: C₂₂H₁₆ClNO₅

SMILES:

Clc1ccc(cc1)C(=O)Nc1ccc(cc1)C(Oc1ccc(cc1)C(OC)=O)=O

InChI:

InChI=1/C22H16ClNO5/c1-28-21(26)15-6-12-19(13-7-15)29-22(27)16-4-10-18(11-5-16)24-20(25)14-2-8-17(23)9-3-14/h2-13H,1H3,(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=122.131 kcal/mol

Physical Properties
Molecular Weight: 409.825 g/mol	logS: -6.58495	SlogP: 4.5981	Reactive groups: 0

Topological Properties
Globularity: 0.0204619	Sterimol/B1: 3.0013	Sterimol/B2: 3.44689	Sterimol/B3: 4.15276
Sterimol/B4: 4.4127	Sterimol/L: 24.8634

Surface and Volume Properties
Accessible surface: 690.812	Positive charged surface: 365.279	Negative charged surface: 325.532	Volume: 361.75
Hydrophobic surface: 582.735	Hydrophilic surface: 108.077

Pharmacophoric Properties
Hydrogen bond donors: 1	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: no related molecules available.