MMsINC Database Search


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MMsINC code: MMs01495506

Type: Neutral
Formula: C₁₉H₂₀ClFN₂O₂

SMILES:

Clc1cccc(F)c1CN(C(=O)CC(NC(=O)C)c1ccccc1)C

InChI:

InChI=1/C19H20ClFN2O2/c1-13(24)22-18(14-7-4-3-5-8-14)11-19(25)23(2)12-15-16(20)9-6-10-17(15)21/h3-10,18H,11-12H2,1-2H3,(H,22,24)/t18-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.5939 kcal/mol

Physical Properties
Molecular Weight: 362.832 g/mol	logS: -4.28404	SlogP: 4.0669	Reactive groups: 0

Topological Properties
Globularity: 0.169137	Sterimol/B1: 2.10796	Sterimol/B2: 4.50306	Sterimol/B3: 4.60947
Sterimol/B4: 8.28047	Sterimol/L: 15.2652

Surface and Volume Properties
Accessible surface: 599.405	Positive charged surface: 352.346	Negative charged surface: 247.059	Volume: 338.25
Hydrophobic surface: 548.759	Hydrophilic surface: 50.646

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