MMsINC Database Search


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MMsINC code: MMs02890922

Type: Neutral
Formula: C₁₁H₁₁NO₃

SMILES:

O(C)c1cc2C=CC(=O)Nc2cc1OC

InChI:

InChI=1/C11H11NO3/c1-14-9-5-7-3-4-11(13)12-8(7)6-10(9)15-2/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)=55.6187 kcal/mol

Physical Properties
Molecular Weight: 205.213 g/mol	logS: -2.31595	SlogP: 1.6691	Reactive groups: 0

Topological Properties
Globularity: 0.0205459	Sterimol/B1: 1.969	Sterimol/B2: 2.37383	Sterimol/B3: 2.38076
Sterimol/B4: 7.57224	Sterimol/L: 11.2232

Surface and Volume Properties
Accessible surface: 401.381	Positive charged surface: 286.1	Negative charged surface: 115.281	Volume: 192.125
Hydrophobic surface: 312.491	Hydrophilic surface: 88.89

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.