MMsINC Database Search


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MMsINC code: MMs01604483

Type: Neutral
Formula: C₁₁H₁₁N₃O₃

SMILES:

O=C1N(NC(=O)c2c1cccc2)CC(=O)NC

InChI:

InChI=1/C11H11N3O3/c1-12-9(15)6-14-11(17)8-5-3-2-4-7(8)10(16)13-14/h2-5H,6H2,1H3,(H,12,15)(H,13,16)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.6154 kcal/mol

Physical Properties
Molecular Weight: 233.227 g/mol	logS: -2.00448	SlogP: -0.4668	Reactive groups: 0

Topological Properties
Globularity: 0.072627	Sterimol/B1: 2.18232	Sterimol/B2: 3.62804	Sterimol/B3: 4.3998
Sterimol/B4: 5.22427	Sterimol/L: 14.2874

Surface and Volume Properties
Accessible surface: 431.858	Positive charged surface: 281.098	Negative charged surface: 150.76	Volume: 208.75
Hydrophobic surface: 276.245	Hydrophilic surface: 155.613

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.