MMsINC Database Search


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MMsINC code: MMs00735362

Type: Neutral
Formula: C₁₆H₁₇FN₂O

SMILES:

Fc1ccc(cc1)CCNC(=O)Nc1ccc(cc1)C

InChI:

InChI=1/C16H17FN2O/c1-12-2-8-15(9-3-12)19-16(20)18-11-10-13-4-6-14(17)7-5-13/h2-9H,10-11H2,1H3,(H2,18,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=37.692 kcal/mol

Physical Properties
Molecular Weight: 272.323 g/mol	logS: -4.02646	SlogP: 3.49829	Reactive groups: 0

Topological Properties
Globularity: 0.0378228	Sterimol/B1: 2.7466	Sterimol/B2: 3.41488	Sterimol/B3: 3.90793
Sterimol/B4: 5.10744	Sterimol/L: 18.0662

Surface and Volume Properties
Accessible surface: 541.716	Positive charged surface: 320.418	Negative charged surface: 221.298	Volume: 268.875
Hydrophobic surface: 475.281	Hydrophilic surface: 66.435

Pharmacophoric Properties
Hydrogen bond donors: 2	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.