MMsINC Database Search


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MMsINC code: MMs00693035

Type: Neutral
Formula: C₁₁H₁₀N₂O₂

SMILES:

Oc1c2nc(NC(=O)C)ccc2ccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.6069 kcal/mol

Physical Properties
Molecular Weight: 202.213 g/mol	logS: -2.13218	SlogP: 1.8988	Reactive groups: 0

Topological Properties
Globularity: 0.00992474	Sterimol/B1: 2.34869	Sterimol/B2: 2.39857	Sterimol/B3: 3.88668
Sterimol/B4: 5.16213	Sterimol/L: 12.8555

Surface and Volume Properties
Accessible surface: 394.586	Positive charged surface: 238.491	Negative charged surface: 150.818	Volume: 190.625
Hydrophobic surface: 283.935	Hydrophilic surface: 110.651

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.