MMsINC Database Search


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MMsINC code: MMs02251519

Type: Neutral
Formula: C₁₈H₁₄O

SMILES:

OC1c2cc(c3c(c2-c2c1cccc2)cccc3)C

InChI:

InChI=1/C18H14O/c1-11-10-16-17(13-7-3-2-6-12(11)13)14-8-4-5-9-15(14)18(16)19/h2-10,18-19H,1H3/t18-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.2874 kcal/mol

Physical Properties
Molecular Weight: 246.309 g/mol	logS: -6.05648	SlogP: 4.30582	Reactive groups: 0

Topological Properties
Globularity: 0.0173714	Sterimol/B1: 2.51317	Sterimol/B2: 2.59435	Sterimol/B3: 2.85879
Sterimol/B4: 7.43019	Sterimol/L: 12.825

Surface and Volume Properties
Accessible surface: 458.537	Positive charged surface: 235.43	Negative charged surface: 201.082	Volume: 249.5
Hydrophobic surface: 414.381	Hydrophilic surface: 44.156

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.