MMsINC Database Search


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MMsINC code: MMs02626456

Type: Neutral
Formula: C₁₆H₁₅FO

SMILES:

Fc1ccc(cc1)\C=C\c1cc(C)c(O)c(c1)C

InChI:

InChI=1/C16H15FO/c1-11-9-14(10-12(2)16(11)18)4-3-13-5-7-15(17)8-6-13/h3-10,18H,1-2H3/b4-3+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.8801 kcal/mol

Physical Properties
Molecular Weight: 242.293 g/mol	logS: -4.51303	SlogP: 4.31854	Reactive groups: 0

Topological Properties
Globularity: 0.00844072	Sterimol/B1: 2.33788	Sterimol/B2: 2.51066	Sterimol/B3: 2.52446
Sterimol/B4: 7.07383	Sterimol/L: 15.1663

Surface and Volume Properties
Accessible surface: 483.321	Positive charged surface: 259.133	Negative charged surface: 224.187	Volume: 246.125
Hydrophobic surface: 447.268	Hydrophilic surface: 36.053

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

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Ions/Tautomers related molecules: no related molecules available.