MMsINC Database Search


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MMsINC code: MMs02376682

Type: Neutral
Formula: C₁₈H₁₄O₂

SMILES:

O1CC1c1c2c(cccc2)c(c2c1cccc2)C1OC1

InChI:

InChI=1/C18H14O2/c1-2-6-12-11(5-1)17(15-9-19-15)13-7-3-4-8-14(13)18(12)16-10-20-16/h1-8,15-16H,9-10H2/t15-,16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.6867 kcal/mol

Physical Properties
Molecular Weight: 262.308 g/mol	logS: -5.67072	SlogP: 4.3266	Reactive groups: 1

Topological Properties
Globularity: 0.0830879	Sterimol/B1: 2.3677	Sterimol/B2: 2.5554	Sterimol/B3: 3.76422
Sterimol/B4: 9.75773	Sterimol/L: 12.0291

Surface and Volume Properties
Accessible surface: 450.693	Positive charged surface: 243.238	Negative charged surface: 193.268	Volume: 257.625
Hydrophobic surface: 424.347	Hydrophilic surface: 26.346

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.