MMsINC Database Search


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MMsINC code: MMs00736052

Type: Neutral
Formula: C₁₇H₁₄O₃

SMILES:

o1c2c(cccc2)c(C)c1C(Oc1ccccc1C)=O

InChI:

InChI=1/C17H14O3/c1-11-7-3-5-9-14(11)20-17(18)16-12(2)13-8-4-6-10-15(13)19-16/h3-10H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.0225 kcal/mol

Physical Properties
Molecular Weight: 266.296 g/mol	logS: -5.41813	SlogP: 4.26884	Reactive groups: 0

Topological Properties
Globularity: 0.0971544	Sterimol/B1: 2.24599	Sterimol/B2: 3.82945	Sterimol/B3: 5.10539
Sterimol/B4: 6.11317	Sterimol/L: 15.947

Surface and Volume Properties
Accessible surface: 501.415	Positive charged surface: 280.408	Negative charged surface: 215.34	Volume: 259
Hydrophobic surface: 468.352	Hydrophilic surface: 33.063

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.