MMsINC Database Search


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MMsINC code: MMs00008441

Type: Neutral
Formula: C₁₂H₁₀O

SMILES:

OC1Cc2c3c1cccc3ccc2

InChI:

InChI=1/C12H10O/c13-11-7-9-5-1-3-8-4-2-6-10(11)12(8)9/h1-6,11,13H,7H2/t11-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.8956 kcal/mol

Physical Properties
Molecular Weight: 170.211 g/mol	logS: -3.21765	SlogP: 2.52477	Reactive groups: 0

Topological Properties
Globularity: 0.0497547	Sterimol/B1: 2.64407	Sterimol/B2: 2.67244	Sterimol/B3: 2.92454
Sterimol/B4: 7.09747	Sterimol/L: 10.1696

Surface and Volume Properties
Accessible surface: 359.754	Positive charged surface: 206.961	Negative charged surface: 141.721	Volume: 170.5
Hydrophobic surface: 311.394	Hydrophilic surface: 48.36

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.