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MMsINC code: MMs02387390

Type: Neutral
Formula: C₁₉H₃₁N₃O₃

SMILES:

O(CCCCN1CCN(CC1)C(OCC)=O)c1cc(N(C)C)ccc1

InChI:

InChI=1/C19H31N3O3/c1-4-24-19(23)22-13-11-21(12-14-22)10-5-6-15-25-18-9-7-8-17(16-18)20(2)3/h7-9,16H,4-6,10-15H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.9929 kcal/mol

Physical Properties
Molecular Weight: 349.475 g/mol	logS: -2.28355	SlogP: 2.6857	Reactive groups: 0

Topological Properties
Globularity: 0.0271653	Sterimol/B1: 2.11555	Sterimol/B2: 2.5247	Sterimol/B3: 4.64243
Sterimol/B4: 7.42717	Sterimol/L: 22.4067

Surface and Volume Properties
Accessible surface: 693.244	Positive charged surface: 573.486	Negative charged surface: 119.758	Volume: 362
Hydrophobic surface: 627.619	Hydrophilic surface: 65.625

Pharmacophoric Properties
Hydrogen bond donors: 0	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

MMs02387391
NCID-ZINC04429343