MMsINC Database Search


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MMsINC code: MMs02435805

Type: Neutral
Formula: C₁₈H₁₂O

SMILES:

Oc1cc2c(c3c4c(ccc3cc2)cccc4)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.3792 kcal/mol

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

Topological Properties
Globularity: 0.0143027	Sterimol/B1: 2.41542	Sterimol/B2: 2.54711	Sterimol/B3: 3.1537
Sterimol/B4: 7.06088	Sterimol/L: 13.0261

Surface and Volume Properties
Accessible surface: 446.862	Positive charged surface: 225.313	Negative charged surface: 192.117	Volume: 242.75
Hydrophobic surface: 394.253	Hydrophilic surface: 52.609

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.