MMsINC Database Search


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MMsINC code: MMs02318226

Type: Neutral
Formula: C₁₈H₁₂O

SMILES:

O=C1c2c(cc(c3c2cccc3)C)-c2c1cccc2

InChI:

InChI=1/C18H12O/c1-11-10-16-13-7-3-5-9-15(13)18(19)17(16)14-8-4-2-6-12(11)14/h2-10H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.7153 kcal/mol

Physical Properties
Molecular Weight: 244.293 g/mol	logS: -6.59037	SlogP: 4.35962	Reactive groups: 0

Topological Properties
Globularity: 0.00517305	Sterimol/B1: 2.10602	Sterimol/B2: 2.29251	Sterimol/B3: 2.51197
Sterimol/B4: 7.49997	Sterimol/L: 13.9542

Surface and Volume Properties
Accessible surface: 452.985	Positive charged surface: 223.988	Negative charged surface: 206.416	Volume: 244
Hydrophobic surface: 414.973	Hydrophilic surface: 38.012

Pharmacophoric Properties
Hydrogen bond donors: 0	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.