MMsINC Database Search


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MMsINC code: MMs00781904

Type: Neutral
Formula: C₁₈H₁₉FN₂O₂

SMILES:

Fc1ccc(cc1)CCNC(=O)c1ccc(NC(=O)CC)cc1

InChI:

InChI=1/C18H19FN2O2/c1-2-17(22)21-16-9-5-14(6-10-16)18(23)20-12-11-13-3-7-15(19)8-4-13/h3-10H,2,11-12H2,1H3,(H,20,23)(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.6388 kcal/mol

Physical Properties
Molecular Weight: 314.36 g/mol	logS: -4.06658	SlogP: 3.14667	Reactive groups: 0

Topological Properties
Globularity: 0.0283936	Sterimol/B1: 2.20908	Sterimol/B2: 3.40704	Sterimol/B3: 3.8531
Sterimol/B4: 6.68797	Sterimol/L: 20.6307

Surface and Volume Properties
Accessible surface: 600.353	Positive charged surface: 355.227	Negative charged surface: 245.126	Volume: 302.5
Hydrophobic surface: 490.794	Hydrophilic surface: 109.559

Pharmacophoric Properties
Hydrogen bond donors: 2	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.