MMsINC Database Search


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MMsINC code: MMs00970190

Type: Neutral
Formula: C₁₉H₁₉ClFN₃O₂

SMILES:

Clc1ccc(cc1)CNC(=O)CN1CCN(Cc2ccc(F)cc2)C1=O

InChI:

InChI=1/C19H19ClFN3O2/c20-16-5-1-14(2-6-16)11-22-18(25)13-24-10-9-23(19(24)26)12-15-3-7-17(21)8-4-15/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)=48.869 kcal/mol

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

Topological Properties
Globularity: 0.0423362	Sterimol/B1: 2.91287	Sterimol/B2: 3.56802	Sterimol/B3: 4.11108
Sterimol/B4: 5.70174	Sterimol/L: 20.3746

Surface and Volume Properties
Accessible surface: 642.798	Positive charged surface: 372.715	Negative charged surface: 270.082	Volume: 342.125
Hydrophobic surface: 555.25	Hydrophilic surface: 87.548

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.