MMsINC Database Search


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MMsINC code: MMs01540436

Type: Neutral
Formula: C₁₈H₁₇FN₂O₂

SMILES:

Fc1ccc(cc1)CN1C(=O)C(NC1=O)(CC)c1ccccc1

InChI:

InChI=1/C18H17FN2O2/c1-2-18(14-6-4-3-5-7-14)16(22)21(17(23)20-18)12-13-8-10-15(19)11-9-13/h3-11H,2,12H2,1H3,(H,20,23)/t18-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=41.4594 kcal/mol

Physical Properties
Molecular Weight: 312.344 g/mol	logS: -4.39425	SlogP: 3.7609	Reactive groups: 0

Topological Properties
Globularity: 0.131213	Sterimol/B1: 2.44299	Sterimol/B2: 2.53234	Sterimol/B3: 5.17037
Sterimol/B4: 6.20362	Sterimol/L: 15.6453

Surface and Volume Properties
Accessible surface: 524.532	Positive charged surface: 282.34	Negative charged surface: 242.192	Volume: 292.375
Hydrophobic surface: 427.656	Hydrophilic surface: 96.876

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.