MMsINC Database Search


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MMsINC code: MMs00116281

Type: Neutral
Formula: C₁₆H₁₆ClNO₄

SMILES:

Clc1cc(OC)c(NC(=O)c2ccc(OC)cc2)cc1OC

InChI:

InChI=1/C16H16ClNO4/c1-20-11-6-4-10(5-7-11)16(19)18-13-9-14(21-2)12(17)8-15(13)22-3/h4-9H,1-3H3,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.556 kcal/mol

Physical Properties
Molecular Weight: 321.76 g/mol	logS: -4.2403	SlogP: 3.6181	Reactive groups: 0

Topological Properties
Globularity: 0.0235346	Sterimol/B1: 2.52577	Sterimol/B2: 3.20913	Sterimol/B3: 5.49784
Sterimol/B4: 6.33097	Sterimol/L: 17.4257

Surface and Volume Properties
Accessible surface: 563.673	Positive charged surface: 379.27	Negative charged surface: 184.403	Volume: 290.625
Hydrophobic surface: 510.153	Hydrophilic surface: 53.52

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.