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MMsINC code: MMs03098723

Type: Neutral
Formula: C₁₁H₁₀N₂O₂

SMILES:

OC(=O)C(N)c1c2c(ncc1)cccc2

InChI:

InChI=1/C11H10N2O2/c12-10(11(14)15)8-5-6-13-9-4-2-1-3-7(8)9/h1-6,10H,12H2,(H,14,15)/t10-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.321 kcal/mol

Physical Properties
Molecular Weight: 202.213 g/mol	logS: -1.63418	SlogP: 1.4147	Reactive groups: 0

Topological Properties
Globularity: 0.108648	Sterimol/B1: 2.50805	Sterimol/B2: 2.71784	Sterimol/B3: 3.70584
Sterimol/B4: 6.81393	Sterimol/L: 10.8224

Surface and Volume Properties
Accessible surface: 384.216	Positive charged surface: 232.589	Negative charged surface: 146.949	Volume: 187.5
Hydrophobic surface: 227.55	Hydrophilic surface: 156.666

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs03098724
PUBCHEM-ZINC04202353