MMsINC Database Search


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MMsINC code: MMs02865779

Type: Neutral
Formula: C₁₈H₂₁FO

SMILES:

Fc1ccc(cc1)C(C(CC)c1ccc(O)cc1)CC

InChI:

InChI=1/C18H21FO/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,17-18,20H,3-4H2,1-2H3/t17-,18-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.2049 kcal/mol

Physical Properties
Molecular Weight: 272.363 g/mol	logS: -5.87009	SlogP: 5.2187	Reactive groups: 0

Topological Properties
Globularity: 0.424124	Sterimol/B1: 2.3995	Sterimol/B2: 4.09066	Sterimol/B3: 6.10727
Sterimol/B4: 6.99805	Sterimol/L: 11.4921

Surface and Volume Properties
Accessible surface: 487.146	Positive charged surface: 298.254	Negative charged surface: 188.892	Volume: 280.875
Hydrophobic surface: 396.408	Hydrophilic surface: 90.738

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.