MMsINC Database Search


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MMsINC code: MMs02660238

Type: Neutral
Formula: C₁₁H₁₁NO₃

SMILES:

O(C)C1=CC(=O)Nc2c1cccc2OC

InChI:

InChI=1/C11H11NO3/c1-14-8-5-3-4-7-9(15-2)6-10(13)12-11(7)8/h3-6H,1-2H3,(H,12,13)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.7162 kcal/mol

Physical Properties
Molecular Weight: 205.213 g/mol	logS: -2.35198	SlogP: 1.6346	Reactive groups: 0

Topological Properties
Globularity: 0.0142477	Sterimol/B1: 2.37776	Sterimol/B2: 2.37789	Sterimol/B3: 4.50133
Sterimol/B4: 5.3388	Sterimol/L: 12.7369

Surface and Volume Properties
Accessible surface: 402.026	Positive charged surface: 293.175	Negative charged surface: 108.85	Volume: 191.25
Hydrophobic surface: 320.789	Hydrophilic surface: 81.237

Pharmacophoric Properties
Hydrogen bond donors: 1	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.