MMsINC Database Search


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MMsINC code: MMs01210897

Type: Neutral
Formula: C₁₉H₁₇ClFN₃O₄

SMILES:

Clc1cc2N(CC(=O)NCCOC)C(=O)N(c3ccccc3F)C(=O)c2cc1

InChI:

InChI=1/C19H17ClFN3O4/c1-28-9-8-22-17(25)11-23-16-10-12(20)6-7-13(16)18(26)24(19(23)27)15-5-3-2-4-14(15)21/h2-7,10H,8-9,11H2,1H3,(H,22,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.7812 kcal/mol

Physical Properties
Molecular Weight: 405.813 g/mol	logS: -4.89426	SlogP: 2.8285	Reactive groups: 0

Topological Properties
Globularity: 0.0649167	Sterimol/B1: 3.07006	Sterimol/B2: 4.14437	Sterimol/B3: 4.16554
Sterimol/B4: 8.27009	Sterimol/L: 17.1558

Surface and Volume Properties
Accessible surface: 643.784	Positive charged surface: 374.861	Negative charged surface: 268.922	Volume: 349.125
Hydrophobic surface: 542.965	Hydrophilic surface: 100.819

Pharmacophoric Properties
Hydrogen bond donors: 1	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.