MMsINC Database Search


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MMsINC code: MMs02876413

Type: Neutral
Formula: C₁₇H₁₂O

SMILES:

OCc1c2c3c4c(cc2)cccc4ccc3cc1

InChI:

InChI=1/C17H12O/c18-10-14-7-6-13-5-4-11-2-1-3-12-8-9-15(14)17(13)16(11)12/h1-9,18H,10H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.815 kcal/mol

Physical Properties
Molecular Weight: 232.282 g/mol	logS: -6.24104	SlogP: 4.3427	Reactive groups: 0

Topological Properties
Globularity: 0.00640386	Sterimol/B1: 2.37462	Sterimol/B2: 2.3755	Sterimol/B3: 3.81901
Sterimol/B4: 6.40835	Sterimol/L: 13.3661

Surface and Volume Properties
Accessible surface: 433.773	Positive charged surface: 224.801	Negative charged surface: 175.758	Volume: 232.875
Hydrophobic surface: 378.612	Hydrophilic surface: 55.161

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.