MMsINC Database Search


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MMsINC code: MMs02331087

Type: Neutral
Formula: C₁₅H₁₂FNO

SMILES:

Fc1cc2Cc3c(cc(NC(=O)C)cc3)-c2cc1

InChI:

InChI=1/C15H12FNO/c1-9(18)17-13-4-2-10-6-11-7-12(16)3-5-14(11)15(10)8-13/h2-5,7-8H,6H2,1H3,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.3822 kcal/mol

Physical Properties
Molecular Weight: 241.265 g/mol	logS: -4.78657	SlogP: 3.35527	Reactive groups: 0

Topological Properties
Globularity: 0.0159262	Sterimol/B1: 2.54957	Sterimol/B2: 2.60205	Sterimol/B3: 3.45422
Sterimol/B4: 6.48216	Sterimol/L: 14.3065

Surface and Volume Properties
Accessible surface: 456.009	Positive charged surface: 253.73	Negative charged surface: 191.136	Volume: 228.375
Hydrophobic surface: 403.611	Hydrophilic surface: 52.398

Pharmacophoric Properties
Hydrogen bond donors: 1	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.