MMsINC Database Search


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MMsINC code: MMs00700015

Type: Neutral
Formula: C₁₅H₁₀FNO₂

SMILES:

Fc1ccc(cc1)CN1c2c(cccc2)C(=O)C1=O

InChI:

InChI=1/C15H10FNO2/c16-11-7-5-10(6-8-11)9-17-13-4-2-1-3-12(13)14(18)15(17)19/h1-8H,9H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.8889 kcal/mol

Physical Properties
Molecular Weight: 255.248 g/mol	logS: -3.99761	SlogP: 2.8216	Reactive groups: 0

Topological Properties
Globularity: 0.130674	Sterimol/B1: 2.73909	Sterimol/B2: 3.19652	Sterimol/B3: 4.26838
Sterimol/B4: 6.06956	Sterimol/L: 12.437

Surface and Volume Properties
Accessible surface: 443.167	Positive charged surface: 215.179	Negative charged surface: 227.989	Volume: 230.875
Hydrophobic surface: 347.271	Hydrophilic surface: 95.896

Pharmacophoric Properties
Hydrogen bond donors: 0	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.