MMsINC Database Search


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MMsINC code: MMs00918067

Type: Neutral
Formula: C₁₉H₂₁FO

SMILES:

Fc1cc(ccc1)C1(CCCC1)c1ccc(OCC)cc1

InChI:

InChI=1/C19H21FO/c1-2-21-18-10-8-15(9-11-18)19(12-3-4-13-19)16-6-5-7-17(20)14-16/h5-11,14H,2-4,12-13H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.3523 kcal/mol

Physical Properties
Molecular Weight: 284.374 g/mol	logS: -6.13267	SlogP: 5.0845	Reactive groups: 0

Topological Properties
Globularity: 0.106868	Sterimol/B1: 3.36512	Sterimol/B2: 3.77203	Sterimol/B3: 5.15819
Sterimol/B4: 5.65712	Sterimol/L: 13.7514

Surface and Volume Properties
Accessible surface: 526.866	Positive charged surface: 333.671	Negative charged surface: 193.195	Volume: 292
Hydrophobic surface: 495.725	Hydrophilic surface: 31.141

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.