MMsINC Database Search


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MMsINC code: MMs01628691

Type: Neutral
Formula: C₁₆H₁₄FNO₃

SMILES:

Fc1cc(C)c(NC(=O)C2Oc3c(OC2)cccc3)cc1

InChI:

InChI=1/C16H14FNO3/c1-10-8-11(17)6-7-12(10)18-16(19)15-9-20-13-4-2-3-5-14(13)21-15/h2-8,15H,9H2,1H3,(H,18,19)/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.9236 kcal/mol

Physical Properties
Molecular Weight: 287.29 g/mol	logS: -4.08636	SlogP: 2.91262	Reactive groups: 0

Topological Properties
Globularity: 0.0447694	Sterimol/B1: 2.15884	Sterimol/B2: 2.34815	Sterimol/B3: 4.07588
Sterimol/B4: 6.54231	Sterimol/L: 16.4337

Surface and Volume Properties
Accessible surface: 507.025	Positive charged surface: 291.416	Negative charged surface: 215.609	Volume: 261.375
Hydrophobic surface: 460.378	Hydrophilic surface: 46.647

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.