MMsINC Database Search


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MMsINC code: MMs02859167

Type: Neutral
Formula: C₁₈H₁₂O

SMILES:

Oc1c2c3c(c4c(cc3)cccc4)ccc2ccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.223 kcal/mol

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

Topological Properties
Globularity: 0.00218192	Sterimol/B1: 2.1263	Sterimol/B2: 2.17403	Sterimol/B3: 4.34941
Sterimol/B4: 4.86427	Sterimol/L: 14.2857

Surface and Volume Properties
Accessible surface: 449.118	Positive charged surface: 212.355	Negative charged surface: 203.55	Volume: 242.125
Hydrophobic surface: 412.982	Hydrophilic surface: 36.136

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.