MMsINC Database Search


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MMsINC code: MMs00238526

Type: Neutral
Formula: C₁₉H₁₈FNO₂

SMILES:

Fc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)c1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.7967 kcal/mol

Physical Properties
Molecular Weight: 311.356 g/mol	logS: -4.12811	SlogP: 3.5608	Reactive groups: 0

Topological Properties
Globularity: 0.0821197	Sterimol/B1: 2.54271	Sterimol/B2: 2.98808	Sterimol/B3: 4.28937
Sterimol/B4: 6.58706	Sterimol/L: 15.8747

Surface and Volume Properties
Accessible surface: 544.591	Positive charged surface: 306.113	Negative charged surface: 238.477	Volume: 298.25
Hydrophobic surface: 483.905	Hydrophilic surface: 60.686

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.