MMsINC Database Search


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MMsINC code: MMs01224933

Type: Neutral
Formula: C₁₆H₁₄ClNO₄

SMILES:

Clc1ccc(NC(=O)COC(=O)c2ccccc2OC)cc1

InChI:

InChI=1/C16H14ClNO4/c1-21-14-5-3-2-4-13(14)16(20)22-10-15(19)18-12-8-6-11(17)7-9-12/h2-9H,10H2,1H3,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.669 kcal/mol

Physical Properties
Molecular Weight: 319.744 g/mol	logS: -4.54771	SlogP: 3.1441	Reactive groups: 0

Topological Properties
Globularity: 0.0120119	Sterimol/B1: 2.56911	Sterimol/B2: 2.6022	Sterimol/B3: 2.81032
Sterimol/B4: 7.00566	Sterimol/L: 18.1347

Surface and Volume Properties
Accessible surface: 574.261	Positive charged surface: 329.926	Negative charged surface: 244.335	Volume: 285.875
Hydrophobic surface: 490.189	Hydrophilic surface: 84.072

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.