MMsINC Database Search


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MMsINC code: MMs02326296

Type: Neutral
Formula: C₁₈H₁₆N₂O₂

SMILES:

O=C1N(N(c2ccccc2)c2ccccc2)C(=O)C12CCC2

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.3952 kcal/mol

Physical Properties
Molecular Weight: 292.338 g/mol	logS: -4.3125	SlogP: 3.2788	Reactive groups: 0

Topological Properties
Globularity: 0.103772	Sterimol/B1: 2.44631	Sterimol/B2: 3.80005	Sterimol/B3: 4.06482
Sterimol/B4: 9.58593	Sterimol/L: 13.1377

Surface and Volume Properties
Accessible surface: 526.777	Positive charged surface: 172.256	Negative charged surface: 210.933	Volume: 285.625
Hydrophobic surface: 464.469	Hydrophilic surface: 62.308

Pharmacophoric Properties
Hydrogen bond donors: 0	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.