MMsINC Database Search


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MMsINC code: MMs03295484

Type: Neutral
Formula: C₁₇H₁₄O₂

SMILES:

Oc1ccc2c(cccc2)c1Cc1ccccc1O

InChI:

InChI=1/C17H14O2/c18-16-8-4-2-6-13(16)11-15-14-7-3-1-5-12(14)9-10-17(15)19/h1-10,18-19H,11H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.432 kcal/mol

Physical Properties
Molecular Weight: 250.297 g/mol	logS: -4.34179	SlogP: 3.84177	Reactive groups: 0

Topological Properties
Globularity: 0.144183	Sterimol/B1: 3.02247	Sterimol/B2: 3.08234	Sterimol/B3: 3.85488
Sterimol/B4: 6.7702	Sterimol/L: 11.9104

Surface and Volume Properties
Accessible surface: 456.869	Positive charged surface: 260.853	Negative charged surface: 185.802	Volume: 248.375
Hydrophobic surface: 394.953	Hydrophilic surface: 61.916

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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.