MMsINC Database Search


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MMsINC code: MMs02093405

Type: Neutral
Formula: C₁₂H₁₀N₂O₂

SMILES:

O=C(c1ccccc1)c1cc([nH]c1)C(=O)N

InChI:

InChI=1/C12H10N2O2/c13-12(16)10-6-9(7-14-10)11(15)8-4-2-1-3-5-8/h1-7,14H,(H2,13,16)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.9031 kcal/mol

Physical Properties
Molecular Weight: 214.224 g/mol	logS: -2.30595	SlogP: 1.3446	Reactive groups: 0

Topological Properties
Globularity: 0.0153684	Sterimol/B1: 2.46849	Sterimol/B2: 2.61635	Sterimol/B3: 3.14583
Sterimol/B4: 5.14333	Sterimol/L: 14.0421

Surface and Volume Properties
Accessible surface: 419.163	Positive charged surface: 219.344	Negative charged surface: 199.82	Volume: 201.125
Hydrophobic surface: 226.914	Hydrophilic surface: 192.249

Pharmacophoric Properties
Hydrogen bond donors: 2	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.