MMsINC Database Search


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MMsINC code: MMs01247222

Type: Neutral
Formula: C₁₉H₂₀ClNO₅

SMILES:

Clc1cc(NC(=O)C(OC(=O)c2ccc(OCC)cc2)C)c(OC)cc1

InChI:

InChI=1/C19H20ClNO5/c1-4-25-15-8-5-13(6-9-15)19(23)26-12(2)18(22)21-16-11-14(20)7-10-17(16)24-3/h5-12H,4H2,1-3H3,(H,21,22)/t12-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.332 kcal/mol

Physical Properties
Molecular Weight: 377.824 g/mol	logS: -5.25251	SlogP: 3.9313	Reactive groups: 0

Topological Properties
Globularity: 0.0308207	Sterimol/B1: 2.72832	Sterimol/B2: 4.18038	Sterimol/B3: 4.87502
Sterimol/B4: 6.27756	Sterimol/L: 19.7344

Surface and Volume Properties
Accessible surface: 671.609	Positive charged surface: 402.674	Negative charged surface: 268.935	Volume: 346.625
Hydrophobic surface: 552.364	Hydrophilic surface: 119.245

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