MMsINC Database Search


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MMsINC code: MMs03204103

Type: Neutral
Formula: C₁₁H₁₀N₂O₂

SMILES:

Oc1ccc(cc1)C1=NC=C(NC1=O)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.9024 kcal/mol

Physical Properties
Molecular Weight: 202.213 g/mol	logS: -2.0895	SlogP: 1.1724	Reactive groups: 0

Topological Properties
Globularity: 0.0179569	Sterimol/B1: 2.34708	Sterimol/B2: 2.52537	Sterimol/B3: 3.4791
Sterimol/B4: 4.07793	Sterimol/L: 13.5746

Surface and Volume Properties
Accessible surface: 399.217	Positive charged surface: 251.839	Negative charged surface: 147.378	Volume: 190.25
Hydrophobic surface: 272.236	Hydrophilic surface: 126.981

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.