MMsINC Database Search


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MMsINC code: MMs02338981

Type: Neutral
Formula: C₁₇H₁₆O₂

SMILES:

O(C(OC)c1c2c(cc3c1cccc3)cccc2)C

InChI:

InChI=1/C17H16O2/c1-18-17(19-2)16-14-9-5-3-7-12(14)11-13-8-4-6-10-15(13)16/h3-11,17H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.9918 kcal/mol

Physical Properties
Molecular Weight: 252.313 g/mol	logS: -5.28021	SlogP: 4.3799	Reactive groups: 0

Topological Properties
Globularity: 0.109896	Sterimol/B1: 2.42008	Sterimol/B2: 5.09399	Sterimol/B3: 5.52227
Sterimol/B4: 7.27336	Sterimol/L: 11.5531

Surface and Volume Properties
Accessible surface: 474.082	Positive charged surface: 296.012	Negative charged surface: 155.389	Volume: 256.5
Hydrophobic surface: 466.736	Hydrophilic surface: 7.346

Pharmacophoric Properties
Hydrogen bond donors: 0	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.