MMsINC Database Search


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MMsINC code: MMs02690008

Type: Neutral
Formula: C₁₅H₁₂O₂

SMILES:

o1c2c(cc1-c1ccccc1)cc(OC)cc2

InChI:

InChI=1/C15H12O2/c1-16-13-7-8-14-12(9-13)10-15(17-14)11-5-3-2-4-6-11/h2-10H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.2206 kcal/mol

Physical Properties
Molecular Weight: 224.259 g/mol	logS: -5.27577	SlogP: 4.1084	Reactive groups: 0

Topological Properties
Globularity: 0.00355899	Sterimol/B1: 2.37383	Sterimol/B2: 2.37529	Sterimol/B3: 3.55849
Sterimol/B4: 4.35413	Sterimol/L: 16.1231

Surface and Volume Properties
Accessible surface: 454.62	Positive charged surface: 276.416	Negative charged surface: 171.975	Volume: 226
Hydrophobic surface: 438.186	Hydrophilic surface: 16.434

Pharmacophoric Properties
Hydrogen bond donors: 0	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.