MMsINC Database Search


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MMsINC code: MMs00242300

Type: Neutral
Formula: C₁₅H₂₀FNO₂

SMILES:

Fc1ccccc1C1(O)CCN(CC1)C(=O)CCC

InChI:

InChI=1/C15H20FNO2/c1-2-5-14(18)17-10-8-15(19,9-11-17)12-6-3-4-7-13(12)16/h3-4,6-7,19H,2,5,8-11H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=40.2261 kcal/mol

Physical Properties
Molecular Weight: 265.328 g/mol	logS: -2.79419	SlogP: 2.7473	Reactive groups: 0

Topological Properties
Globularity: 0.0921296	Sterimol/B1: 2.9341	Sterimol/B2: 3.28466	Sterimol/B3: 4.17599
Sterimol/B4: 5.30188	Sterimol/L: 15.812

Surface and Volume Properties
Accessible surface: 484.937	Positive charged surface: 330.013	Negative charged surface: 154.924	Volume: 260
Hydrophobic surface: 407.825	Hydrophilic surface: 77.112

Pharmacophoric Properties
Hydrogen bond donors: 1	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.