MMsINC Database Search


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MMsINC code: MMs01376567

Type: Neutral
Formula: C₁₈H₁₉FN₂O₂

SMILES:

Fc1ccccc1CNC(=O)CCNC(=O)c1cc(ccc1)C

InChI:

InChI=1/C18H19FN2O2/c1-13-5-4-7-14(11-13)18(23)20-10-9-17(22)21-12-15-6-2-3-8-16(15)19/h2-8,11H,9-10,12H2,1H3,(H,20,23)(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=40.0265 kcal/mol

Physical Properties
Molecular Weight: 314.36 g/mol	logS: -4.1223	SlogP: 2.83682	Reactive groups: 0

Topological Properties
Globularity: 0.0241291	Sterimol/B1: 3.48134	Sterimol/B2: 3.63299	Sterimol/B3: 3.73272
Sterimol/B4: 5.17512	Sterimol/L: 20.3014

Surface and Volume Properties
Accessible surface: 604.863	Positive charged surface: 353.811	Negative charged surface: 251.052	Volume: 305.875
Hydrophobic surface: 510.382	Hydrophilic surface: 94.481

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.