MMsINC Database Search


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MMsINC code: MMs00238926

Type: Neutral
Formula: C₁₅H₁₂N₂O₂

SMILES:

o1cccc1CNC(=O)c1nccc2c1cccc2

InChI:

InChI=1/C15H12N2O2/c18-15(17-10-12-5-3-9-19-12)14-13-6-2-1-4-11(13)7-8-16-14/h1-9H,10H2,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.412 kcal/mol

Physical Properties
Molecular Weight: 252.273 g/mol	logS: -3.82314	SlogP: 3.0242	Reactive groups: 0

Topological Properties
Globularity: 0.0285135	Sterimol/B1: 3.11093	Sterimol/B2: 3.49601	Sterimol/B3: 3.51044
Sterimol/B4: 5.92328	Sterimol/L: 15.5102

Surface and Volume Properties
Accessible surface: 482.805	Positive charged surface: 270.005	Negative charged surface: 201.729	Volume: 238.75
Hydrophobic surface: 409.97	Hydrophilic surface: 72.835

Pharmacophoric Properties
Hydrogen bond donors: 1	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.