MMsINC Database Search


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MMsINC code: MMs01234726

Type: Neutral
Formula: C₁₉H₁₆ClNO₄

SMILES:

Clc1cc(NC(=O)c2cc3c(cc2O)cccc3)c(OC)cc1OC

InChI:

InChI=1/C19H16ClNO4/c1-24-17-10-18(25-2)15(9-14(17)20)21-19(23)13-7-11-5-3-4-6-12(11)8-16(13)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)=119.031 kcal/mol

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

Topological Properties
Globularity: 0.0174231	Sterimol/B1: 2.31172	Sterimol/B2: 2.42611	Sterimol/B3: 3.80371
Sterimol/B4: 8.38837	Sterimol/L: 18.2969

Surface and Volume Properties
Accessible surface: 598.387	Positive charged surface: 365.389	Negative charged surface: 221.868	Volume: 320.75
Hydrophobic surface: 518.601	Hydrophilic surface: 79.786

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.