MMsINC Database Search


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MMsINC code: MMs02435806

Type: Neutral
Formula: C₁₈H₁₂O

SMILES:

Oc1c2c(c3c(c1)cccc3)c1c(cc2)cccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.5488 kcal/mol

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

Topological Properties
Globularity: 0.0135996	Sterimol/B1: 2.43246	Sterimol/B2: 2.523	Sterimol/B3: 3.67073
Sterimol/B4: 6.85758	Sterimol/L: 12.4305

Surface and Volume Properties
Accessible surface: 443.961	Positive charged surface: 221.281	Negative charged surface: 192.241	Volume: 239.375
Hydrophobic surface: 400.328	Hydrophilic surface: 43.633

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.