MMsINC Database Search


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MMsINC code: MMs02273391

Type: Neutral
Formula: C₁₈H₁₀O

SMILES:

O1c2c3c4c5c(ccc4ccc3ccc2)cccc15

InChI:

InChI=1/C18H10O/c1-3-11-7-9-13-10-8-12-4-2-6-15-17(12)18(13)16(11)14(5-1)19-15/h1-10H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.6042 kcal/mol

Physical Properties
Molecular Weight: 242.277 g/mol	logS: -7.56747	SlogP: 5.2519	Reactive groups: 0

Topological Properties
Globularity: 1.79859e-07	Sterimol/B1: 2.09769	Sterimol/B2: 2.09872	Sterimol/B3: 3.26391
Sterimol/B4: 6.76454	Sterimol/L: 12.1825

Surface and Volume Properties
Accessible surface: 431.747	Positive charged surface: 210.921	Negative charged surface: 187.613	Volume: 235.875
Hydrophobic surface: 431.747	Hydrophilic surface: 0

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.