MMsINC Database Search


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MMsINC code: MMs03289651

Type: Neutral
Formula: C₁₁H₁₀N₂O₂

SMILES:

Oc1[nH]c2c(cccc2)c1\C=C(\N=O)/C

InChI:

InChI=1/C11H10N2O2/c1-7(13-15)6-9-8-4-2-3-5-10(8)12-11(9)14/h2-6,12,14H,1H3/b7-6-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.8374 kcal/mol

Physical Properties
Molecular Weight: 202.213 g/mol	logS: -2.6038	SlogP: 3.0007	Reactive groups: 0

Topological Properties
Globularity: 0.0656874	Sterimol/B1: 2.96349	Sterimol/B2: 3.50685	Sterimol/B3: 3.62824
Sterimol/B4: 5.96595	Sterimol/L: 11.5305

Surface and Volume Properties
Accessible surface: 393.126	Positive charged surface: 214.321	Negative charged surface: 176.01	Volume: 187.5
Hydrophobic surface: 318.213	Hydrophilic surface: 74.913

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.