MMsINC Database Search


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MMsINC code: MMs02346750

Type: Neutral
Formula: C₁₈H₁₂O

SMILES:

Oc1c2c(c3c(cc2)cccc3)cc2c1cccc2

InChI:

InChI=1/C18H12O/c19-18-15-8-4-2-6-13(15)11-17-14-7-3-1-5-12(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)=87.5063 kcal/mol

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

Topological Properties
Globularity: 0.00211299	Sterimol/B1: 2.11831	Sterimol/B2: 2.20222	Sterimol/B3: 3.56661
Sterimol/B4: 5.70399	Sterimol/L: 14.2669

Surface and Volume Properties
Accessible surface: 454.075	Positive charged surface: 217.604	Negative charged surface: 203.258	Volume: 245.125
Hydrophobic surface: 415.582	Hydrophilic surface: 38.493

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.