MMsINC Database Search


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MMsINC code: MMs02218120

Type: Neutral
Formula: C₁₀H₈

SMILES:

c12c(cccc1)cccc2

InChI:

InChI=1/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=33.4667 kcal/mol

Physical Properties
Molecular Weight: 128.174 g/mol	logS: -3.26276	SlogP: 2.8398	Reactive groups: 0

Topological Properties
Globularity: 2.31564e-07	Sterimol/B1: 2.097	Sterimol/B2: 2.09859	Sterimol/B3: 3.2656
Sterimol/B4: 4.65992	Sterimol/L: 9.63372

Surface and Volume Properties
Accessible surface: 317.677	Positive charged surface: 158.099	Negative charged surface: 148.506	Volume: 140.125
Hydrophobic surface: 317.677	Hydrophilic surface: 0

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.