MMsINC Database Search


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MMsINC code: MMs00017337

Type: Neutral
Formula: C₁₆H₁₀O

SMILES:

o1c2c(c3c1cccc3)cc1c(c2)cccc1

InChI:

InChI=1/C16H10O/c1-2-6-12-10-16-14(9-11(12)5-1)13-7-3-4-8-15(13)17-16/h1-10H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.9442 kcal/mol

Physical Properties
Molecular Weight: 218.255 g/mol	logS: -6.55477	SlogP: 4.7392	Reactive groups: 0

Topological Properties
Globularity: 8.09324e-08	Sterimol/B1: 2.09705	Sterimol/B2: 2.09838	Sterimol/B3: 3.01815
Sterimol/B4: 5.29134	Sterimol/L: 14.2335

Surface and Volume Properties
Accessible surface: 429.232	Positive charged surface: 211.198	Negative charged surface: 196.107	Volume: 218.875
Hydrophobic surface: 417.161	Hydrophilic surface: 12.071

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.