MMsINC Database Search


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MMsINC code: MMs00688586

Type: Neutral
Formula: C₁₇H₁₄FIN₂O₂

SMILES:

Ic1ccc(NC(=O)C2CC(=O)N(C2)c2ccc(F)cc2)cc1

InChI:

InChI=1/C17H14FIN2O2/c18-12-1-7-15(8-2-12)21-10-11(9-16(21)22)17(23)20-14-5-3-13(19)4-6-14/h1-8,11H,9-10H2,(H,20,23)/t11-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.3968 kcal/mol

Physical Properties
Molecular Weight: 424.213 g/mol	logS: -4.55115	SlogP: 3.4219	Reactive groups: 0

Topological Properties
Globularity: 0.0271377	Sterimol/B1: 3.29221	Sterimol/B2: 3.56908	Sterimol/B3: 3.66171
Sterimol/B4: 5.29435	Sterimol/L: 19.341

Surface and Volume Properties
Accessible surface: 575.455	Positive charged surface: 263.59	Negative charged surface: 311.865	Volume: 307.125
Hydrophobic surface: 504.55	Hydrophilic surface: 70.905

Pharmacophoric Properties
Hydrogen bond donors: 1	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.