MMsINC Database Search


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MMsINC code: MMs00494003

Type: Neutral
Formula: C₁₉H₂₅F₂NO

SMILES:

Fc1cc(ccc1F)C(=O)N(C1CCCCC1)C1CCCCC1

InChI:

InChI=1/C19H25F2NO/c20-17-12-11-14(13-18(17)21)19(23)22(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h11-13,15-16H,1-10H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.186 kcal/mol

Physical Properties
Molecular Weight: 321.411 g/mol	logS: -4.95726	SlogP: 5.0724	Reactive groups: 0

Topological Properties
Globularity: 0.152666	Sterimol/B1: 3.21208	Sterimol/B2: 3.5438	Sterimol/B3: 4.11602
Sterimol/B4: 8.12779	Sterimol/L: 13.1075

Surface and Volume Properties
Accessible surface: 526.704	Positive charged surface: 342.88	Negative charged surface: 183.823	Volume: 311.625
Hydrophobic surface: 505.446	Hydrophilic surface: 21.258

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.