MMsINC Database Search


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MMsINC code: MMs00593963

Type: Neutral
Formula: C₁₈H₁₆N₂O₃

SMILES:

O=C1N(CCCC(=O)Nc2ccccc2)C(=O)c2c1cccc2

InChI:

InChI=1/C18H16N2O3/c21-16(19-13-7-2-1-3-8-13)11-6-12-20-17(22)14-9-4-5-10-15(14)18(20)23/h1-5,7-10H,6,11-12H2,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.1868 kcal/mol

Physical Properties
Molecular Weight: 308.337 g/mol	logS: -4.01485	SlogP: 2.7015	Reactive groups: 0

Topological Properties
Globularity: 0.0503224	Sterimol/B1: 3.03087	Sterimol/B2: 3.63231	Sterimol/B3: 4.53815
Sterimol/B4: 5.62843	Sterimol/L: 18.1569

Surface and Volume Properties
Accessible surface: 566.07	Positive charged surface: 331.202	Negative charged surface: 234.868	Volume: 294.375
Hydrophobic surface: 446.141	Hydrophilic surface: 119.929

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.