MMsINC Database Search


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MMsINC code: MMs00611830

Type: Neutral
Formula: C₁₉H₂₀FNO

SMILES:

Fc1cc(ccc1)C(=O)NC(C1CCCC1)c1ccccc1

InChI:

InChI=1/C19H20FNO/c20-17-12-6-11-16(13-17)19(22)21-18(15-9-4-5-10-15)14-7-2-1-3-8-14/h1-3,6-8,11-13,15,18H,4-5,9-10H2,(H,21,22)/t18-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.1125 kcal/mol

Physical Properties
Molecular Weight: 297.373 g/mol	logS: -5.25304	SlogP: 4.5825	Reactive groups: 0

Topological Properties
Globularity: 0.137329	Sterimol/B1: 2.47775	Sterimol/B2: 3.30852	Sterimol/B3: 4.23732
Sterimol/B4: 9.53737	Sterimol/L: 14.155

Surface and Volume Properties
Accessible surface: 547.604	Positive charged surface: 323.571	Negative charged surface: 224.033	Volume: 298.875
Hydrophobic surface: 521.047	Hydrophilic surface: 26.557

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.