MMsINC Database Search


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MMsINC code: MMs01623174

Type: Neutral
Formula: C₁₅H₁₄FNO

SMILES:

Fc1cc(NC(=O)c2cccc(C)c2C)ccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.6241 kcal/mol

Physical Properties
Molecular Weight: 243.281 g/mol	logS: -4.59769	SlogP: 3.69484	Reactive groups: 0

Topological Properties
Globularity: 0.0258941	Sterimol/B1: 2.54893	Sterimol/B2: 2.96401	Sterimol/B3: 3.07128
Sterimol/B4: 5.72983	Sterimol/L: 14.7149

Surface and Volume Properties
Accessible surface: 459.457	Positive charged surface: 251.621	Negative charged surface: 207.837	Volume: 237.625
Hydrophobic surface: 432.92	Hydrophilic surface: 26.537

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.