MMsINC Database Search


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MMsINC code: MMs00970134

Type: Neutral
Formula: C₁₉H₁₉ClFN₃O₂

SMILES:

Clc1ccccc1CNC(=O)CN1CCN(Cc2ccccc2F)C1=O

InChI:

InChI=1/C19H19ClFN3O2/c20-16-7-3-1-5-14(16)11-22-18(25)13-24-10-9-23(19(24)26)12-15-6-2-4-8-17(15)21/h1-8H,9-13H2,(H,22,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.3491 kcal/mol

Physical Properties
Molecular Weight: 375.831 g/mol	logS: -4.27883	SlogP: 3.5659	Reactive groups: 0

Topological Properties
Globularity: 0.0467309	Sterimol/B1: 3.10559	Sterimol/B2: 3.50642	Sterimol/B3: 3.57105
Sterimol/B4: 6.12558	Sterimol/L: 19.0509

Surface and Volume Properties
Accessible surface: 631.155	Positive charged surface: 373.591	Negative charged surface: 257.564	Volume: 342.375
Hydrophobic surface: 544.811	Hydrophilic surface: 86.344

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.