MMsINC Database Search


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MMsINC code: MMs01141270

Type: Neutral
Formula: C₁₉H₃₃N₃O₂

SMILES:

O=C(N(CCC)CC(=O)N(Cc1n(ccc1)C)CC(C)C)CCC

InChI:

InChI=1/C19H33N3O2/c1-6-9-18(23)21(11-7-2)15-19(24)22(13-16(3)4)14-17-10-8-12-20(17)5/h8,10,12,16H,6-7,9,11,13-15H2,1-5H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=47.8244 kcal/mol

Physical Properties
Molecular Weight: 335.492 g/mol	logS: -1.96583	SlogP: 3.674	Reactive groups: 0

Topological Properties
Globularity: 0.211329	Sterimol/B1: 2.33311	Sterimol/B2: 5.61588	Sterimol/B3: 6.64495
Sterimol/B4: 7.09277	Sterimol/L: 15.1802

Surface and Volume Properties
Accessible surface: 638.27	Positive charged surface: 460.519	Negative charged surface: 177.75	Volume: 368.25
Hydrophobic surface: 494.768	Hydrophilic surface: 143.502

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.