MMsINC Database Search


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MMsINC code: MMs02572070

Type: Neutral
Formula: C₁₉H₂₀ClNO₄

SMILES:

Clc1cccc(NC(=O)c2ccc(OC(C(OCC)=O)C)cc2)c1C

InChI:

InChI=1/C19H20ClNO4/c1-4-24-19(23)13(3)25-15-10-8-14(9-11-15)18(22)21-17-7-5-6-16(20)12(17)2/h5-11,13H,4H2,1-3H3,(H,21,22)/t13-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.683 kcal/mol

Physical Properties
Molecular Weight: 361.825 g/mol	logS: -5.3626	SlogP: 4.23112	Reactive groups: 0

Topological Properties
Globularity: 0.031679	Sterimol/B1: 2.92034	Sterimol/B2: 3.23226	Sterimol/B3: 4.39597
Sterimol/B4: 6.80859	Sterimol/L: 20.1844

Surface and Volume Properties
Accessible surface: 636.762	Positive charged surface: 353.772	Negative charged surface: 282.991	Volume: 335.375
Hydrophobic surface: 519.595	Hydrophilic surface: 117.167

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.