MMsINC Database Search


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MMsINC code: MMs01346369

Type: Neutral
Formula: C₁₄H₁₅NO₂

SMILES:

O(C)c1ccccc1NCc1ccccc1O

InChI:

InChI=1/C14H15NO2/c1-17-14-9-5-3-7-12(14)15-10-11-6-2-4-8-13(11)16/h2-9,15-16H,10H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.1828 kcal/mol

Physical Properties
Molecular Weight: 229.279 g/mol	logS: -2.63767	SlogP: 3.2793	Reactive groups: 0

Topological Properties
Globularity: 0.103512	Sterimol/B1: 2.49748	Sterimol/B2: 3.66331	Sterimol/B3: 4.13087
Sterimol/B4: 7.47551	Sterimol/L: 13.8736

Surface and Volume Properties
Accessible surface: 471.257	Positive charged surface: 312.931	Negative charged surface: 158.326	Volume: 234
Hydrophobic surface: 409.832	Hydrophilic surface: 61.425

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.