MMsINC Database Search


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MMsINC code: MMs00649303

Type: Neutral
Formula: C₁₉H₁₈ClNO₆

SMILES:

Clc1ccc(cc1OCC)C(=O)Nc1cc(cc(c1)C(OC)=O)C(OC)=O

InChI:

InChI=1/C19H18ClNO6/c1-4-27-16-10-11(5-6-15(16)20)17(22)21-14-8-12(18(23)25-2)7-13(9-14)19(24)26-3/h5-10H,4H2,1-3H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.3776 kcal/mol

Physical Properties
Molecular Weight: 391.807 g/mol	logS: -5.23021	SlogP: 3.5642	Reactive groups: 0

Topological Properties
Globularity: 0.0333021	Sterimol/B1: 2.32862	Sterimol/B2: 4.34311	Sterimol/B3: 4.75814
Sterimol/B4: 7.10354	Sterimol/L: 18.5802

Surface and Volume Properties
Accessible surface: 673.74	Positive charged surface: 425.481	Negative charged surface: 248.259	Volume: 347.375
Hydrophobic surface: 528.601	Hydrophilic surface: 145.139

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.