MMsINC Database Search


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MMsINC code: MMs01962610

Type: Neutral
Formula: C₁₉H₁₇N₃O₃

SMILES:

O=C1Nc2cc(ccc2NC1=O)C(=O)Nc1c2CCCCc2ccc1

InChI:

InChI=1/C19H17N3O3/c23-17(20-14-7-3-5-11-4-1-2-6-13(11)14)12-8-9-15-16(10-12)22-19(25)18(24)21-15/h3,5,7-10H,1-2,4,6H2,(H,20,23)(H,21,24)(H,22,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.1132 kcal/mol

Physical Properties
Molecular Weight: 335.363 g/mol	logS: -5.47068	SlogP: 2.70824	Reactive groups: 0

Topological Properties
Globularity: 0.019474	Sterimol/B1: 2.17722	Sterimol/B2: 2.54858	Sterimol/B3: 3.76005
Sterimol/B4: 7.39439	Sterimol/L: 17.3104

Surface and Volume Properties
Accessible surface: 564.38	Positive charged surface: 335.849	Negative charged surface: 228.532	Volume: 307.625
Hydrophobic surface: 383.739	Hydrophilic surface: 180.641

Pharmacophoric Properties
Hydrogen bond donors: 3	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.