MMsINC Database Search


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MMsINC code: MMs03299238

Type: Neutral
Formula: C₁₉H₂₀FNO₂

SMILES:

Fc1cc2CCC(N(c2cc1)C(=O)Cc1ccc(OC)cc1)C

InChI:

InChI=1/C19H20FNO2/c1-13-3-6-15-12-16(20)7-10-18(15)21(13)19(22)11-14-4-8-17(23-2)9-5-14/h4-5,7-10,12-13H,3,6,11H2,1-2H3/t13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=173.862 kcal/mol

Physical Properties
Molecular Weight: 313.372 g/mol	logS: -4.36856	SlogP: 3.74464	Reactive groups: 0

Topological Properties
Globularity: 0.0600202	Sterimol/B1: 2.44581	Sterimol/B2: 3.18431	Sterimol/B3: 4.18181
Sterimol/B4: 8.36009	Sterimol/L: 16.3085

Surface and Volume Properties
Accessible surface: 550.344	Positive charged surface: 354	Negative charged surface: 196.345	Volume: 300
Hydrophobic surface: 509.587	Hydrophilic surface: 40.757

Pharmacophoric Properties
Hydrogen bond donors: 0	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.