MMsINC Database Search


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MMsINC code: MMs00645417

Type: Neutral
Formula: C₁₉H₁₆ClNO₄

SMILES:

Clc1cc(OC)cc(OC)c1NC(=O)c1cc2c(cc1O)cccc2

InChI:

InChI=1/C19H16ClNO4/c1-24-13-9-15(20)18(17(10-13)25-2)21-19(23)14-7-11-5-3-4-6-12(11)8-16(14)22/h3-10,22H,1-2H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=127.127 kcal/mol

Physical Properties
Molecular Weight: 357.793 g/mol	logS: -5.70585	SlogP: 4.4683	Reactive groups: 0

Topological Properties
Globularity: 0.0974096	Sterimol/B1: 3.54222	Sterimol/B2: 3.73908	Sterimol/B3: 5.12688
Sterimol/B4: 6.80097	Sterimol/L: 18.3499

Surface and Volume Properties
Accessible surface: 595.062	Positive charged surface: 360.892	Negative charged surface: 224.195	Volume: 321.25
Hydrophobic surface: 511.517	Hydrophilic surface: 83.545

Pharmacophoric Properties
Hydrogen bond donors: 2	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.