MMsINC Database Search


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MMsINC code: MMs00851500

Type: Neutral
Formula: C₁₅H₁₅FN₂O₂

SMILES:

Fc1ccc(cc1)CNC(=O)c1noc2c1CCCC2

InChI:

InChI=1/C15H15FN2O2/c16-11-7-5-10(6-8-11)9-17-15(19)14-12-3-1-2-4-13(12)20-18-14/h5-8H,1-4,9H2,(H,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=46.6257 kcal/mol

Physical Properties
Molecular Weight: 274.295 g/mol	logS: -3.48197	SlogP: 2.88884	Reactive groups: 0

Topological Properties
Globularity: 0.0547304	Sterimol/B1: 2.49789	Sterimol/B2: 3.26163	Sterimol/B3: 4.26075
Sterimol/B4: 4.82358	Sterimol/L: 16.6143

Surface and Volume Properties
Accessible surface: 500.902	Positive charged surface: 307.915	Negative charged surface: 192.987	Volume: 252.125
Hydrophobic surface: 423.574	Hydrophilic surface: 77.328

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.