MMsINC Database Search


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MMsINC code: MMs02351572

Type: Neutral
Formula: C₁₀H₁₀N₂O₂

SMILES:

Oc1cc2[nH]cc(c2cc1)CC(=O)N

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=32.4652 kcal/mol

Physical Properties
Molecular Weight: 190.202 g/mol	logS: -1.62642	SlogP: 0.90127	Reactive groups: 0

Topological Properties
Globularity: 0.05914	Sterimol/B1: 2.52091	Sterimol/B2: 2.796	Sterimol/B3: 3.44
Sterimol/B4: 6.0455	Sterimol/L: 12.2017

Surface and Volume Properties
Accessible surface: 384.188	Positive charged surface: 240.894	Negative charged surface: 139.108	Volume: 177
Hydrophobic surface: 183.182	Hydrophilic surface: 201.006

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 2	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.