MMsINC Database Search


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MMsINC code: MMs02741808

Type: Neutral
Formula: C₁₃H₁₀O₂

SMILES:

Oc1c2Cc3c(-c2ccc1O)cccc3

InChI:

InChI=1/C13H10O2/c14-12-6-5-10-9-4-2-1-3-8(9)7-11(10)13(12)15/h1-6,14-15H,7H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.6131 kcal/mol

Physical Properties
Molecular Weight: 198.221 g/mol	logS: -3.24479	SlogP: 2.66897	Reactive groups: 0

Topological Properties
Globularity: 0.0159248	Sterimol/B1: 2.33451	Sterimol/B2: 2.42236	Sterimol/B3: 3.55381
Sterimol/B4: 4.47745	Sterimol/L: 12.567

Surface and Volume Properties
Accessible surface: 392.824	Positive charged surface: 227.091	Negative charged surface: 155.122	Volume: 190.25
Hydrophobic surface: 299.234	Hydrophilic surface: 93.59

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.