MMsINC Database Search


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MMsINC code: MMs00607285

Type: Neutral
Formula: C₁₈H₁₅FO₃

SMILES:

Fc1ccc(cc1)C=1C(=O)c2cc(CC)c(O)cc2OC=1C

InChI:

InChI=1/C18H15FO3/c1-3-11-8-14-16(9-15(11)20)22-10(2)17(18(14)21)12-4-6-13(19)7-5-12/h4-9,20H,3H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.6276 kcal/mol

Physical Properties
Molecular Weight: 298.313 g/mol	logS: -5.17416	SlogP: 4.09997	Reactive groups: 1

Topological Properties
Globularity: 0.0602386	Sterimol/B1: 2.42355	Sterimol/B2: 2.47034	Sterimol/B3: 4.50172
Sterimol/B4: 6.14789	Sterimol/L: 15.8577

Surface and Volume Properties
Accessible surface: 521.097	Positive charged surface: 298.586	Negative charged surface: 222.512	Volume: 276.5
Hydrophobic surface: 426.738	Hydrophilic surface: 94.359

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.