MMsINC Database Search


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MMsINC code: MMs02554335

Type: Neutral
Formula: C₁₇H₁₅FO₂

SMILES:

Fc1ccc(cc1)\C=C\C(Oc1c(cccc1C)C)=O

InChI:

InChI=1/C17H15FO2/c1-12-4-3-5-13(2)17(12)20-16(19)11-8-14-6-9-15(18)10-7-14/h3-11H,1-2H3/b11-8+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.8842 kcal/mol

Physical Properties
Molecular Weight: 270.303 g/mol	logS: -4.62068	SlogP: 4.06134	Reactive groups: 0

Topological Properties
Globularity: 0.0686321	Sterimol/B1: 2.24334	Sterimol/B2: 3.45657	Sterimol/B3: 4.28571
Sterimol/B4: 7.25951	Sterimol/L: 16.6865

Surface and Volume Properties
Accessible surface: 518.819	Positive charged surface: 264.586	Negative charged surface: 254.233	Volume: 263.625
Hydrophobic surface: 495.04	Hydrophilic surface: 23.779

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.