MMsINC Database Search


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MMsINC code: MMs01458321

Type: Neutral
Formula: C₁₉H₂₅N₃O₃

SMILES:

O=C1N(CC(=O)Nc2ccccc2C)C(=O)NC12CCCCCCC2

InChI:

InChI=1/C19H25N3O3/c1-14-9-5-6-10-15(14)20-16(23)13-22-17(24)19(21-18(22)25)11-7-3-2-4-8-12-19/h5-6,9-10H,2-4,7-8,11-13H2,1H3,(H,20,23)(H,21,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=121.946 kcal/mol

Physical Properties
Molecular Weight: 343.427 g/mol	logS: -4.69297	SlogP: 2.96842	Reactive groups: 0

Topological Properties
Globularity: 0.0908624	Sterimol/B1: 2.28608	Sterimol/B2: 3.11418	Sterimol/B3: 6.00567
Sterimol/B4: 6.63584	Sterimol/L: 16.5013

Surface and Volume Properties
Accessible surface: 583.854	Positive charged surface: 384.809	Negative charged surface: 199.044	Volume: 329.5
Hydrophobic surface: 474.71	Hydrophilic surface: 109.144

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.