MMsINC Database Search


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MMsINC code: MMs00295678

Type: Neutral
Formula: C₁₈H₁₆N₂O₄

SMILES:

O1CCN(CC1)C(=O)CN1C(=O)c2c3c(cccc3ccc2)C1=O

InChI:

InChI=1/C18H16N2O4/c21-15(19-7-9-24-10-8-19)11-20-17(22)13-5-1-3-12-4-2-6-14(16(12)13)18(20)23/h1-6H,7-11H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.627 kcal/mol

Physical Properties
Molecular Weight: 324.336 g/mol	logS: -4.17067	SlogP: 1.2946	Reactive groups: 0

Topological Properties
Globularity: 0.0696562	Sterimol/B1: 2.59916	Sterimol/B2: 3.57787	Sterimol/B3: 3.63383
Sterimol/B4: 7.24703	Sterimol/L: 15.4043

Surface and Volume Properties
Accessible surface: 535.259	Positive charged surface: 341.997	Negative charged surface: 182.192	Volume: 294.125
Hydrophobic surface: 432.731	Hydrophilic surface: 102.528

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.