MMsINC Database Search


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MMsINC code: MMs00534180

Type: Neutral
Formula: C₁₇H₁₇FN₂O₂

SMILES:

Fc1ccc(cc1)CC(=O)NC(Cc1ccccc1)C(=O)N

InChI:

InChI=1/C17H17FN2O2/c18-14-8-6-13(7-9-14)11-16(21)20-15(17(19)22)10-12-4-2-1-3-5-12/h1-9,15H,10-11H2,(H2,19,22)(H,20,21)/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.7181 kcal/mol

Physical Properties
Molecular Weight: 300.333 g/mol	logS: -3.99539	SlogP: 1.58094	Reactive groups: 0

Topological Properties
Globularity: 0.11324	Sterimol/B1: 2.54259	Sterimol/B2: 3.44941	Sterimol/B3: 3.76579
Sterimol/B4: 9.09118	Sterimol/L: 14.0529

Surface and Volume Properties
Accessible surface: 551.286	Positive charged surface: 307.223	Negative charged surface: 244.063	Volume: 286.125
Hydrophobic surface: 431.373	Hydrophilic surface: 119.913

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.