MMsINC Database Search


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MMsINC code: MMs03349535

Type: Neutral
Formula: C₁₅H₁₅FN₂O

SMILES:

Fc1cc(ccc1)CC(=O)NCCc1ncccc1

InChI:

InChI=1/C15H15FN2O/c16-13-5-3-4-12(10-13)11-15(19)18-9-7-14-6-1-2-8-17-14/h1-6,8,10H,7,9,11H2,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.5231 kcal/mol

Physical Properties
Molecular Weight: 258.296 g/mol	logS: -2.61161	SlogP: 2.12204	Reactive groups: 0

Topological Properties
Globularity: 0.0606903	Sterimol/B1: 3.28759	Sterimol/B2: 3.33499	Sterimol/B3: 4.23586
Sterimol/B4: 4.57611	Sterimol/L: 16.5442

Surface and Volume Properties
Accessible surface: 516.604	Positive charged surface: 324.924	Negative charged surface: 191.679	Volume: 251.5
Hydrophobic surface: 466.701	Hydrophilic surface: 49.903

Pharmacophoric Properties
Hydrogen bond donors: 1	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.