MMsINC Database Search


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MMsINC code: MMs02253373

Type: Neutral
Formula: C₁₄H₁₃NO₂

SMILES:

Oc1ccccc1C\N=C\c1ccccc1O

InChI:

InChI=1/C14H13NO2/c16-13-7-3-1-5-11(13)9-15-10-12-6-2-4-8-14(12)17/h1-9,16-17H,10H2/b15-9+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.6897 kcal/mol

Physical Properties
Molecular Weight: 227.263 g/mol	logS: -2.52976	SlogP: 2.9833	Reactive groups: 0

Topological Properties
Globularity: 0.100475	Sterimol/B1: 2.24482	Sterimol/B2: 2.74233	Sterimol/B3: 5.09561
Sterimol/B4: 5.20586	Sterimol/L: 13.7179

Surface and Volume Properties
Accessible surface: 455.445	Positive charged surface: 277.631	Negative charged surface: 177.814	Volume: 228.5
Hydrophobic surface: 367.508	Hydrophilic surface: 87.937

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.