MMsINC Database Search


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MMsINC code: MMs02277283

Type: Neutral
Formula: C₁₈H₁₂O

SMILES:

Oc1c2c(c3c(c1)ccc1c3cccc1)cccc2

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.376 kcal/mol

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

Topological Properties
Globularity: 0.0153034	Sterimol/B1: 2.42167	Sterimol/B2: 2.6166	Sterimol/B3: 3.9439
Sterimol/B4: 6.30927	Sterimol/L: 12.4942

Surface and Volume Properties
Accessible surface: 444.394	Positive charged surface: 224.125	Negative charged surface: 189.534	Volume: 241.125
Hydrophobic surface: 398.675	Hydrophilic surface: 45.719

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.