MMsINC Database Search


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MMsINC code: MMs00448951

Type: Neutral
Formula: C₁₄H₁₀O

SMILES:

Oc1cc2c(cc1)cc1c(c2)cccc1

InChI:

InChI=1/C14H10O/c15-14-6-5-12-7-10-3-1-2-4-11(10)8-13(12)9-14/h1-9,15H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.3793 kcal/mol

Physical Properties
Molecular Weight: 194.233 g/mol	logS: -4.77869	SlogP: 3.6986	Reactive groups: 0

Topological Properties
Globularity: 0.00295598	Sterimol/B1: 2.097	Sterimol/B2: 2.26173	Sterimol/B3: 3.61299
Sterimol/B4: 4.60623	Sterimol/L: 12.7175

Surface and Volume Properties
Accessible surface: 405.284	Positive charged surface: 202.46	Negative charged surface: 180.682	Volume: 196.125
Hydrophobic surface: 353.264	Hydrophilic surface: 52.02

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.