MMsINC Database Search


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MMsINC code: MMs00464220

Type: Neutral
Formula: C₁₈H₁₆N₂O₂

SMILES:

O=C1N(Cc2ccccc2)C(=O)N2C1Cc1c(C2)cccc1

InChI:

InChI=1/C18H16N2O2/c21-17-16-10-14-8-4-5-9-15(14)12-19(16)18(22)20(17)11-13-6-2-1-3-7-13/h1-9,16H,10-12H2/t16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=34.7748 kcal/mol

Physical Properties
Molecular Weight: 292.338 g/mol	logS: -3.64817	SlogP: 3.10847	Reactive groups: 0

Topological Properties
Globularity: 0.177837	Sterimol/B1: 2.44262	Sterimol/B2: 3.24126	Sterimol/B3: 5.86088
Sterimol/B4: 5.93353	Sterimol/L: 13.9215

Surface and Volume Properties
Accessible surface: 509.473	Positive charged surface: 305.566	Negative charged surface: 203.907	Volume: 281.375
Hydrophobic surface: 431.584	Hydrophilic surface: 77.889

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.