MMsINC Database Search


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MMsINC code: MMs02678282

Type: Neutral
Formula: C₁₆H₁₅FO

SMILES:

Fc1ccc(cc1)C1(OCCC1)c1ccccc1

InChI:

InChI=1/C16H15FO/c17-15-9-7-14(8-10-15)16(11-4-12-18-16)13-5-2-1-3-6-13/h1-3,5-10H,4,11-12H2/t16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.9292 kcal/mol

Physical Properties
Molecular Weight: 242.293 g/mol	logS: -4.11634	SlogP: 4.1912	Reactive groups: 0

Topological Properties
Globularity: 0.353869	Sterimol/B1: 2.19967	Sterimol/B2: 3.58657	Sterimol/B3: 3.89669
Sterimol/B4: 7.31694	Sterimol/L: 11.9162

Surface and Volume Properties
Accessible surface: 453.074	Positive charged surface: 263.802	Negative charged surface: 189.272	Volume: 239.625
Hydrophobic surface: 450.01	Hydrophilic surface: 3.064

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.