MMsINC Database Search


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MMsINC code: MMs00120234

Type: Neutral
Formula: C₁₅H₁₄N₂O₂

SMILES:

O=C(N)c1ccccc1NC(=O)c1ccc(cc1)C

InChI:

InChI=1/C15H14N2O2/c1-10-6-8-11(9-7-10)15(19)17-13-5-3-2-4-12(13)14(16)18/h2-9H,1H3,(H2,16,18)(H,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.7288 kcal/mol

Physical Properties
Molecular Weight: 254.289 g/mol	logS: -4.08091	SlogP: 2.34622	Reactive groups: 0

Topological Properties
Globularity: 0.016657	Sterimol/B1: 2.51481	Sterimol/B2: 2.60542	Sterimol/B3: 4.56791
Sterimol/B4: 5.17711	Sterimol/L: 15.1541

Surface and Volume Properties
Accessible surface: 477.61	Positive charged surface: 274.253	Negative charged surface: 203.357	Volume: 246.625
Hydrophobic surface: 356.207	Hydrophilic surface: 121.403

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.