MMsINC Database Search


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MMsINC code: MMs03547320

Type: Neutral
Formula: C₁₈H₁₄O₂

SMILES:

OC1c2c(ccc3c2cccc3)C(O)c2c1cccc2

InChI:

InChI=1/C18H14O2/c19-17-13-7-3-4-8-14(13)18(20)16-12-6-2-1-5-11(12)9-10-15(16)17/h1-10,17-20H/t17-,18-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.8386 kcal/mol

Physical Properties
Molecular Weight: 262.308 g/mol	logS: -4.6951	SlogP: 3.5076	Reactive groups: 0

Topological Properties
Globularity: 0.0466719	Sterimol/B1: 2.33166	Sterimol/B2: 3.59641	Sterimol/B3: 3.99958
Sterimol/B4: 5.58386	Sterimol/L: 14.0641

Surface and Volume Properties
Accessible surface: 465.134	Positive charged surface: 242.298	Negative charged surface: 212.046	Volume: 256
Hydrophobic surface: 391.652	Hydrophilic surface: 73.482

Pharmacophoric Properties
Hydrogen bond donors: 2	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.