MMsINC Database Search


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MMsINC code: MMs00188798

Type: Neutral
Formula: C₁₆H₁₅FN₂O

SMILES:

Fc1ccc(cc1)C1N(C)C(=O)c2c(N1C)cccc2

InChI:

InChI=1/C16H15FN2O/c1-18-14-6-4-3-5-13(14)16(20)19(2)15(18)11-7-9-12(17)10-8-11/h3-10,15H,1-2H3/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=121.089 kcal/mol

Physical Properties
Molecular Weight: 270.307 g/mol	logS: -3.44488	SlogP: 3.1418	Reactive groups: 0

Topological Properties
Globularity: 0.129777	Sterimol/B1: 2.13608	Sterimol/B2: 3.1638	Sterimol/B3: 5.29016
Sterimol/B4: 5.92643	Sterimol/L: 14.3677

Surface and Volume Properties
Accessible surface: 467.428	Positive charged surface: 287.939	Negative charged surface: 179.488	Volume: 256.75
Hydrophobic surface: 431.15	Hydrophilic surface: 36.278

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.