MMsINC Database Search


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MMsINC code: MMs03507070

Type: Neutral
Formula: C₁₈H₁₄O

SMILES:

OC(C)c1cc2c3c4c(cc2)cccc4ccc3c1

InChI:

InChI=1/C18H14O/c1-11(19)16-9-14-7-5-12-3-2-4-13-6-8-15(10-16)18(14)17(12)13/h2-11,19H,1H3/t11-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.6012 kcal/mol

Physical Properties
Molecular Weight: 246.309 g/mol	logS: -6.56825	SlogP: 4.7328	Reactive groups: 0

Topological Properties
Globularity: 0.0321484	Sterimol/B1: 2.15742	Sterimol/B2: 4.04702	Sterimol/B3: 4.86762
Sterimol/B4: 5.05789	Sterimol/L: 14.1371

Surface and Volume Properties
Accessible surface: 456.013	Positive charged surface: 234.013	Negative charged surface: 191.23	Volume: 250
Hydrophobic surface: 391.117	Hydrophilic surface: 64.896

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.