MMsINC Database Search


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MMsINC code: MMs02342480

Type: Neutral
Formula: C₁₀H₁₀N₂O₂

SMILES:

OC(C(=O)N)c1c2c([nH]c1)cccc2

InChI:

InChI=1/C10H10N2O2/c11-10(14)9(13)7-5-12-8-4-2-1-3-6(7)8/h1-5,9,12-13H,(H2,11,14)/t9-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=42.5307 kcal/mol

Physical Properties
Molecular Weight: 190.202 g/mol	logS: -1.72436	SlogP: 0.7821	Reactive groups: 0

Topological Properties
Globularity: 0.102541	Sterimol/B1: 2.46705	Sterimol/B2: 2.6312	Sterimol/B3: 3.46529
Sterimol/B4: 5.82221	Sterimol/L: 11.2554

Surface and Volume Properties
Accessible surface: 371.898	Positive charged surface: 201.742	Negative charged surface: 166.008	Volume: 175.75
Hydrophobic surface: 191.324	Hydrophilic surface: 180.574

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.