MMsINC Database Search


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MMsINC code: MMs00595615

Type: Neutral
Formula: C₁₁H₁₀N₂O₂

SMILES:

O(CC(=O)N)c1c2ncccc2ccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.2055 kcal/mol

Physical Properties
Molecular Weight: 202.213 g/mol	logS: -2.30236	SlogP: 1.0989	Reactive groups: 0

Topological Properties
Globularity: 0.00683017	Sterimol/B1: 2.37463	Sterimol/B2: 2.37548	Sterimol/B3: 2.5572
Sterimol/B4: 7.19615	Sterimol/L: 13.0294

Surface and Volume Properties
Accessible surface: 405.535	Positive charged surface: 257.587	Negative charged surface: 142.413	Volume: 190.25
Hydrophobic surface: 267.91	Hydrophilic surface: 137.625

Pharmacophoric Properties
Hydrogen bond donors: 1	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.