MMsINC Database Search


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MMsINC code: MMs01075305

Type: Neutral
Formula: C₁₇H₁₄FNO₂

SMILES:

Fc1cc2c(cc1)C(=O)N(c1c(cc(cc1C)C)C)C2=O

InChI:

InChI=1/C17H14FNO2/c1-9-6-10(2)15(11(3)7-9)19-16(20)13-5-4-12(18)8-14(13)17(19)21/h4-8H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.5072 kcal/mol

Physical Properties
Molecular Weight: 283.302 g/mol	logS: -4.84843	SlogP: 3.55156	Reactive groups: 0

Topological Properties
Globularity: 0.0985644	Sterimol/B1: 3.97911	Sterimol/B2: 4.01561	Sterimol/B3: 4.75166
Sterimol/B4: 4.75174	Sterimol/L: 14.8989

Surface and Volume Properties
Accessible surface: 496.476	Positive charged surface: 251.105	Negative charged surface: 245.371	Volume: 265.75
Hydrophobic surface: 437.855	Hydrophilic surface: 58.621

Pharmacophoric Properties
Hydrogen bond donors: 0	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.