MMsINC Database Search


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MMsINC code: MMs02235428

Type: Neutral
Formula: C₁₅H₁₂O

SMILES:

OCc1c2c(c3c(c1)cccc3)cccc2

InChI:

InChI=1/C15H12O/c16-10-12-9-11-5-1-2-6-13(11)15-8-4-3-7-14(12)15/h1-9,16H,10H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.5486 kcal/mol

Physical Properties
Molecular Weight: 208.26 g/mol	logS: -4.91166	SlogP: 3.7517	Reactive groups: 0

Topological Properties
Globularity: 0.00899568	Sterimol/B1: 2.37305	Sterimol/B2: 2.37705	Sterimol/B3: 4.56373
Sterimol/B4: 6.34247	Sterimol/L: 11.2665

Surface and Volume Properties
Accessible surface: 416.373	Positive charged surface: 220.2	Negative charged surface: 174.03	Volume: 215.625
Hydrophobic surface: 361.297	Hydrophilic surface: 55.076

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.