MMsINC Database Search


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MMsINC code: MMs00503893

Type: Neutral
Formula: C₁₅H₁₁NO₃

SMILES:

o1c2c(nc1C)cccc2C(Oc1ccccc1)=O

InChI:

InChI=1/C15H11NO3/c1-10-16-13-9-5-8-12(14(13)18-10)15(17)19-11-6-3-2-4-7-11/h2-9H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.6886 kcal/mol

Physical Properties
Molecular Weight: 253.257 g/mol	logS: -4.12124	SlogP: 3.35542	Reactive groups: 0

Topological Properties
Globularity: 0.0619454	Sterimol/B1: 2.17024	Sterimol/B2: 3.34138	Sterimol/B3: 3.82827
Sterimol/B4: 8.20984	Sterimol/L: 14.2983

Surface and Volume Properties
Accessible surface: 483.762	Positive charged surface: 273.553	Negative charged surface: 210.209	Volume: 237.375
Hydrophobic surface: 411.295	Hydrophilic surface: 72.467

Pharmacophoric Properties
Hydrogen bond donors: 0	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.