MMsINC Database Search


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MMsINC code: MMs01622676

Type: Neutral
Formula: C₁₈H₁₃ClFNO

SMILES:

Clc1cc(NC(=O)Cc2c3c(ccc2)cccc3)c(F)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.245 kcal/mol

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

Topological Properties
Globularity: 0.136648	Sterimol/B1: 2.68042	Sterimol/B2: 4.4734	Sterimol/B3: 4.55444
Sterimol/B4: 7.22455	Sterimol/L: 14.177

Surface and Volume Properties
Accessible surface: 537.822	Positive charged surface: 248.097	Negative charged surface: 280.883	Volume: 285.25
Hydrophobic surface: 506.391	Hydrophilic surface: 31.431

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.