MMsINC Database Search


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MMsINC code: MMs00011766

Type: Neutral
Formula: C₁₅H₁₂O

SMILES:

OC1c2c(C=Cc3c1cccc3)cccc2

InChI:

InChI=1/C15H12O/c16-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15/h1-10,15-16H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.2837 kcal/mol

Physical Properties
Molecular Weight: 208.26 g/mol	logS: -3.52558	SlogP: 3.3476	Reactive groups: 0

Topological Properties
Globularity: 0.194154	Sterimol/B1: 2.2128	Sterimol/B2: 4.13332	Sterimol/B3: 4.19521
Sterimol/B4: 5.26443	Sterimol/L: 11.7853

Surface and Volume Properties
Accessible surface: 415.872	Positive charged surface: 238.463	Negative charged surface: 177.409	Volume: 214.625
Hydrophobic surface: 373.056	Hydrophilic surface: 42.816

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.