MMsINC Database Search


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MMsINC code: MMs03546996

Type: Neutral
Formula: C₁₈H₁₄O₂

SMILES:

OC1C=Cc2c(c3c(c4c2cccc4)cccc3)C1O

InChI:

InChI=1/C18H14O2/c19-16-10-9-15-13-7-2-1-5-11(13)12-6-3-4-8-14(12)17(15)18(16)20/h1-10,16,18-20H/t16-,18-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=129.729 kcal/mol

Physical Properties
Molecular Weight: 262.308 g/mol	logS: -5.33734	SlogP: 3.5096	Reactive groups: 0

Topological Properties
Globularity: 0.0496592	Sterimol/B1: 3.18891	Sterimol/B2: 3.30893	Sterimol/B3: 3.60471
Sterimol/B4: 7.5025	Sterimol/L: 12.0949

Surface and Volume Properties
Accessible surface: 459.579	Positive charged surface: 252.969	Negative charged surface: 184.468	Volume: 252.75
Hydrophobic surface: 371.777	Hydrophilic surface: 87.802

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.