MMsINC Database Search


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MMsINC code: MMs00278284

Type: Neutral
Formula: C₁₁H₁₂N₂O₂

SMILES:

O=C(NC1CC1)C(=O)Nc1ccccc1

InChI:

InChI=1/C11H12N2O2/c14-10(11(15)13-9-6-7-9)12-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,14)(H,13,15)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.0889 kcal/mol

Physical Properties
Molecular Weight: 204.229 g/mol	logS: -2.31192	SlogP: 0.9037	Reactive groups: 0

Topological Properties
Globularity: 0.0272337	Sterimol/B1: 2.92876	Sterimol/B2: 2.98081	Sterimol/B3: 3.39286
Sterimol/B4: 4.4079	Sterimol/L: 14.6157

Surface and Volume Properties
Accessible surface: 433.316	Positive charged surface: 260.753	Negative charged surface: 172.564	Volume: 200.5
Hydrophobic surface: 291.224	Hydrophilic surface: 142.092

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.