MMsINC Database Search


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MMsINC code: MMs01623375

Type: Neutral
Formula: C₁₈H₁₃ClFNO

SMILES:

Clc1cccc(F)c1CC(=O)Nc1c2c(ccc1)cccc2

InChI:

InChI=1/C18H13ClFNO/c19-15-8-4-9-16(20)14(15)11-18(22)21-17-10-3-6-12-5-1-2-7-13(12)17/h1-10H,11H2,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.0486 kcal/mol

Physical Properties
Molecular Weight: 313.759 g/mol	logS: -6.32349	SlogP: 4.81347	Reactive groups: 0

Topological Properties
Globularity: 0.0586037	Sterimol/B1: 3.44836	Sterimol/B2: 3.62447	Sterimol/B3: 4.92153
Sterimol/B4: 6.11345	Sterimol/L: 16.0082

Surface and Volume Properties
Accessible surface: 524.724	Positive charged surface: 246.011	Negative charged surface: 268.356	Volume: 284
Hydrophobic surface: 499.803	Hydrophilic surface: 24.921

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.