MMsINC Database Search


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MMsINC code: MMs02255122

Type: Neutral
Formula: C₉H₁₀N₂O₃

SMILES:

OC(=O)c1ccc(NCC(=O)N)cc1

InChI:

InChI=1/C9H10N2O3/c10-8(12)5-11-7-3-1-6(2-4-7)9(13)14/h1-4,11H,5H2,(H2,10,12)(H,13,14)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=46.2764 kcal/mol

Physical Properties
Molecular Weight: 194.19 g/mol	logS: -1.4293	SlogP: 0.282	Reactive groups: 0

Topological Properties
Globularity: 0.00633056	Sterimol/B1: 2.3729	Sterimol/B2: 2.37622	Sterimol/B3: 2.74034
Sterimol/B4: 4.88349	Sterimol/L: 13.8761

Surface and Volume Properties
Accessible surface: 389.062	Positive charged surface: 236.832	Negative charged surface: 152.23	Volume: 176.375
Hydrophobic surface: 164.252	Hydrophilic surface: 224.81

Pharmacophoric Properties
Hydrogen bond donors: 4	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

MMs02255123
NCID-ZINC01602254