MMsINC Database Search


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MMsINC code: MMs00234554

Type: Neutral
Formula: C₁₇H₁₇ClN₂O₄

SMILES:

Clc1ccc(cc1)C(=O)Nc1cc(OC)c(NC(=O)C)cc1OC

InChI:

InChI=1/C17H17ClN2O4/c1-10(21)19-13-8-16(24-3)14(9-15(13)23-2)20-17(22)11-4-6-12(18)7-5-11/h4-9H,1-3H3,(H,19,21)(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.311 kcal/mol

Physical Properties
Molecular Weight: 348.786 g/mol	logS: -4.39937	SlogP: 3.5679	Reactive groups: 0

Topological Properties
Globularity: 0.0286676	Sterimol/B1: 2.22892	Sterimol/B2: 3.62384	Sterimol/B3: 5.95356
Sterimol/B4: 6.16482	Sterimol/L: 18.4933

Surface and Volume Properties
Accessible surface: 597.615	Positive charged surface: 375.964	Negative charged surface: 221.651	Volume: 313.5
Hydrophobic surface: 508.968	Hydrophilic surface: 88.647

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.