MMsINC Database Search


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MMsINC code: MMs03724560

Type: Neutral
Formula: C₁₅H₁₄FNO

SMILES:

Fc1cc(\N=C\c2cc(C)c(O)c(c2)C)ccc1

InChI:

InChI=1/C15H14FNO/c1-10-6-12(7-11(2)15(10)18)9-17-14-5-3-4-13(16)8-14/h3-9,18H,1-2H3/b17-9+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.9849 kcal/mol

Physical Properties
Molecular Weight: 243.281 g/mol	logS: -3.56359	SlogP: 3.89874	Reactive groups: 0

Topological Properties
Globularity: 0.0330234	Sterimol/B1: 2.2398	Sterimol/B2: 2.34197	Sterimol/B3: 3.3394
Sterimol/B4: 6.94245	Sterimol/L: 14.7681

Surface and Volume Properties
Accessible surface: 484.537	Positive charged surface: 282.087	Negative charged surface: 202.45	Volume: 240.5
Hydrophobic surface: 432.276	Hydrophilic surface: 52.261

Pharmacophoric Properties
Hydrogen bond donors: 1	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.