MMsINC Database Search


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MMsINC code: MMs00075381

Type: Neutral
Formula: C₁₅H₁₀FNO₂

SMILES:

Fc1ccc(NC2=CC(Oc3c2cccc3)=O)cc1

InChI:

InChI=1/C15H10FNO2/c16-10-5-7-11(8-6-10)17-13-9-15(18)19-14-4-2-1-3-12(13)14/h1-9,17H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.8227 kcal/mol

Physical Properties
Molecular Weight: 255.248 g/mol	logS: -4.72233	SlogP: 3.1977	Reactive groups: 0

Topological Properties
Globularity: 0.143109	Sterimol/B1: 2.42841	Sterimol/B2: 2.51149	Sterimol/B3: 4.69591
Sterimol/B4: 7.39054	Sterimol/L: 12.2673

Surface and Volume Properties
Accessible surface: 445.626	Positive charged surface: 229.049	Negative charged surface: 216.576	Volume: 229.5
Hydrophobic surface: 361.53	Hydrophilic surface: 84.096

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.