MMsINC Database Search


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MMsINC code: MMs01456262

Type: Neutral
Formula: C₁₅H₁₇FN₂O

SMILES:

Fc1ccccc1CC(=O)NCc1n(C)c(cc1)C

InChI:

InChI=1/C15H17FN2O/c1-11-7-8-13(18(11)2)10-17-15(19)9-12-5-3-4-6-14(12)16/h3-8H,9-10H2,1-2H3,(H,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=29.1994 kcal/mol

Physical Properties
Molecular Weight: 260.312 g/mol	logS: -2.4589	SlogP: 2.95709	Reactive groups: 0

Topological Properties
Globularity: 0.0418957	Sterimol/B1: 2.56237	Sterimol/B2: 3.28832	Sterimol/B3: 3.81693
Sterimol/B4: 4.85221	Sterimol/L: 16.4529

Surface and Volume Properties
Accessible surface: 515.921	Positive charged surface: 326.103	Negative charged surface: 189.818	Volume: 258.25
Hydrophobic surface: 462.65	Hydrophilic surface: 53.271

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