MMsINC Database Search


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MMsINC code: MMs02435804

Type: Neutral
Formula: C₁₈H₁₂O

SMILES:

Oc1c2c(c3c4c(ccc3cc2)cccc4)ccc1

InChI:

InChI=1/C18H12O/c19-17-7-3-6-16-15(17)11-10-13-9-8-12-4-1-2-5-14(12)18(13)16/h1-11,19H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.7093 kcal/mol

Physical Properties
Molecular Weight: 244.293 g/mol	logS: -6.65657	SlogP: 4.8518	Reactive groups: 0

Topological Properties
Globularity: 0.0143583	Sterimol/B1: 2.42689	Sterimol/B2: 2.58862	Sterimol/B3: 3.52372
Sterimol/B4: 6.50126	Sterimol/L: 12.9255

Surface and Volume Properties
Accessible surface: 440.554	Positive charged surface: 220.454	Negative charged surface: 191.021	Volume: 241.375
Hydrophobic surface: 395.573	Hydrophilic surface: 44.981

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

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.