MMsINC Database Search


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MMsINC code: MMs02005309

Type: Neutral
Formula: C₁₉H₁₈N₂O₃

SMILES:

O(C)c1ccc(cc1)CCNC(=O)C(=O)c1c2c([nH]c1)cccc2

InChI:

InChI=1/C19H18N2O3/c1-24-14-8-6-13(7-9-14)10-11-20-19(23)18(22)16-12-21-17-5-3-2-4-15(16)17/h2-9,12,21H,10-11H2,1H3,(H,20,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.7335 kcal/mol

Physical Properties
Molecular Weight: 322.364 g/mol	logS: -4.03201	SlogP: 2.71807	Reactive groups: 0

Topological Properties
Globularity: 0.0275831	Sterimol/B1: 2.78039	Sterimol/B2: 3.30614	Sterimol/B3: 4.64147
Sterimol/B4: 4.77682	Sterimol/L: 21.0574

Surface and Volume Properties
Accessible surface: 605.055	Positive charged surface: 370.897	Negative charged surface: 228.468	Volume: 312.25
Hydrophobic surface: 470.737	Hydrophilic surface: 134.318

Pharmacophoric Properties
Hydrogen bond donors: 2	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.