MMsINC Database Search


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MMsINC code: MMs00590850

Type: Neutral
Formula: C₁₆H₁₇FN₂O

SMILES:

Fc1ccc(NC(=O)NCCc2ccc(cc2)C)cc1

InChI:

InChI=1/C16H17FN2O/c1-12-2-4-13(5-3-12)10-11-18-16(20)19-15-8-6-14(17)7-9-15/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)=39.2489 kcal/mol

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

Topological Properties
Globularity: 0.0421072	Sterimol/B1: 3.24396	Sterimol/B2: 3.25901	Sterimol/B3: 4.18801
Sterimol/B4: 4.85935	Sterimol/L: 18.3115

Surface and Volume Properties
Accessible surface: 540.325	Positive charged surface: 321.013	Negative charged surface: 219.312	Volume: 266.75
Hydrophobic surface: 476.744	Hydrophilic surface: 63.581

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.