MMsINC Database Search


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MMsINC code: MMs00798689

Type: Neutral
Formula: C₁₉H₁₈FNO₂

SMILES:

Fc1ccccc1-c1oc(cc1)CNCC(O)c1ccccc1

InChI:

InChI=1/C19H18FNO2/c20-17-9-5-4-8-16(17)19-11-10-15(23-19)12-21-13-18(22)14-6-2-1-3-7-14/h1-11,18,21-22H,12-13H2/t18-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.2327 kcal/mol

Physical Properties
Molecular Weight: 311.356 g/mol	logS: -5.13247	SlogP: 4.2708	Reactive groups: 0

Topological Properties
Globularity: 0.0430882	Sterimol/B1: 3.23193	Sterimol/B2: 3.55004	Sterimol/B3: 3.87612
Sterimol/B4: 5.40472	Sterimol/L: 19.2736

Surface and Volume Properties
Accessible surface: 596.117	Positive charged surface: 341.025	Negative charged surface: 255.092	Volume: 303.375
Hydrophobic surface: 525.841	Hydrophilic surface: 70.276

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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.