MMsINC Database Search


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MMsINC code: MMs01370444

Type: Neutral
Formula: C₁₉H₂₅N₃O₃

SMILES:

O=C1N(CC(=O)NCc2ccccc2)C(=O)NC12CCCCCCC2

InChI:

InChI=1/C19H25N3O3/c23-16(20-13-15-9-5-4-6-10-15)14-22-17(24)19(21-18(22)25)11-7-2-1-3-8-12-19/h4-6,9-10H,1-3,7-8,11-14H2,(H,20,23)(H,21,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.0964 kcal/mol

Physical Properties
Molecular Weight: 343.427 g/mol	logS: -4.47654	SlogP: 2.6041	Reactive groups: 0

Topological Properties
Globularity: 0.0609643	Sterimol/B1: 3.60435	Sterimol/B2: 3.75601	Sterimol/B3: 3.93679
Sterimol/B4: 5.62407	Sterimol/L: 18.5223

Surface and Volume Properties
Accessible surface: 602.936	Positive charged surface: 394.445	Negative charged surface: 208.491	Volume: 332.25
Hydrophobic surface: 471.829	Hydrophilic surface: 131.107

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.