MMsINC Database Search


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MMsINC code: MMs02093141

Type: Neutral
Formula: C₁₅H₁₁NO₂

SMILES:

Oc1c(nc2c(cccc2)c1O)-c1ccccc1

InChI:

InChI=1/C15H11NO2/c17-14-11-8-4-5-9-12(11)16-13(15(14)18)10-6-2-1-3-7-10/h1-9,18H,(H,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.8864 kcal/mol

Physical Properties
Molecular Weight: 237.258 g/mol	logS: -3.6447	SlogP: 3.313	Reactive groups: 0

Topological Properties
Globularity: 0.0194714	Sterimol/B1: 2.54396	Sterimol/B2: 2.6304	Sterimol/B3: 3.75999
Sterimol/B4: 5.24433	Sterimol/L: 14.21

Surface and Volume Properties
Accessible surface: 441.395	Positive charged surface: 239.972	Negative charged surface: 191.86	Volume: 225.75
Hydrophobic surface: 349.267	Hydrophilic surface: 92.128

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.