MMsINC Database Search


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MMsINC code: MMs02440696

Type: Neutral
Formula: C₁₀H₁₁NO₂

SMILES:

O(C)c1cc2c(cc1)/C(=N/O)/CC2

InChI:

InChI=1/C10H11NO2/c1-13-8-3-4-9-7(6-8)2-5-10(9)11-12/h3-4,6,12H,2,5H2,1H3/b11-10+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.8938 kcal/mol

Physical Properties
Molecular Weight: 177.203 g/mol	logS: -1.62118	SlogP: 1.81967	Reactive groups: 0

Topological Properties
Globularity: 0.0243262	Sterimol/B1: 2.37912	Sterimol/B2: 2.37982	Sterimol/B3: 3.69646
Sterimol/B4: 4.13392	Sterimol/L: 12.7126

Surface and Volume Properties
Accessible surface: 386.486	Positive charged surface: 267.496	Negative charged surface: 118.99	Volume: 173.5
Hydrophobic surface: 291.083	Hydrophilic surface: 95.403

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.