MMsINC Database Search


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MMsINC code: MMs01939012

Type: Neutral
Formula: C₁₈H₁₅FN₂O

SMILES:

Fc1cc2cc([nH]c2cc1)C(=O)N1CCc2c(C1)cccc2

InChI:

InChI=1/C18H15FN2O/c19-15-5-6-16-14(9-15)10-17(20-16)18(22)21-8-7-12-3-1-2-4-13(12)11-21/h1-6,9-10,20H,7-8,11H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.982 kcal/mol

Physical Properties
Molecular Weight: 294.329 g/mol	logS: -4.11459	SlogP: 3.77187	Reactive groups: 0

Topological Properties
Globularity: 0.0609698	Sterimol/B1: 2.20914	Sterimol/B2: 3.3469	Sterimol/B3: 4.22216
Sterimol/B4: 6.78722	Sterimol/L: 15.1979

Surface and Volume Properties
Accessible surface: 515.863	Positive charged surface: 279.243	Negative charged surface: 230.731	Volume: 276.25
Hydrophobic surface: 468.831	Hydrophilic surface: 47.032

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.