MMsINC Database Search


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MMsINC code: MMs00311724

Type: Neutral
Formula: C₁₉H₁₈N₂O₄

SMILES:

O1CCN(CC1)C(=O)CCN1C(=O)c2c3c(cccc3ccc2)C1=O

InChI:

InChI=1/C19H18N2O4/c22-16(20-9-11-25-12-10-20)7-8-21-18(23)14-5-1-3-13-4-2-6-15(17(13)14)19(21)24/h1-6H,7-12H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.1136 kcal/mol

Physical Properties
Molecular Weight: 338.363 g/mol	logS: -4.05259	SlogP: 1.6847	Reactive groups: 0

Topological Properties
Globularity: 0.0752362	Sterimol/B1: 2.47209	Sterimol/B2: 3.81893	Sterimol/B3: 4.38025
Sterimol/B4: 7.37937	Sterimol/L: 16.7246

Surface and Volume Properties
Accessible surface: 563.031	Positive charged surface: 368.663	Negative charged surface: 183.297	Volume: 311.375
Hydrophobic surface: 459.507	Hydrophilic surface: 103.524

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.