MMsINC Database Search


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MMsINC code: MMs02240207

Type: Neutral
Formula: C₁₁H₁₀N₂O₂

SMILES:

O1c2c3N(C1)C(=O)C=C(c3ccc2N)C

InChI:

InChI=1/C11H10N2O2/c1-6-4-9(14)13-5-15-11-8(12)3-2-7(6)10(11)13/h2-4H,5,12H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.6958 kcal/mol

Physical Properties
Molecular Weight: 202.213 g/mol	logS: -2.0652	SlogP: 1.3686	Reactive groups: 0

Topological Properties
Globularity: 0.023227	Sterimol/B1: 2.37742	Sterimol/B2: 2.38124	Sterimol/B3: 2.92957
Sterimol/B4: 6.40381	Sterimol/L: 11.0374

Surface and Volume Properties
Accessible surface: 378.059	Positive charged surface: 247.66	Negative charged surface: 130.399	Volume: 186
Hydrophobic surface: 245.81	Hydrophilic surface: 132.249

Pharmacophoric Properties
Hydrogen bond donors: 1	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.