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MMsINC code: MMs00291759

Type: Neutral
Formula: C₁₉H₂₃N₃O₂

SMILES:

O(C(=O)c1cc(N)c(N2CCN(CC2)Cc2ccccc2)cc1)C

InChI:

InChI=1/C19H23N3O2/c1-24-19(23)16-7-8-18(17(20)13-16)22-11-9-21(10-12-22)14-15-5-3-2-4-6-15/h2-8,13H,9-12,14,20H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=154.193 kcal/mol

Physical Properties
Molecular Weight: 325.412 g/mol	logS: -3.22953	SlogP: 2.644	Reactive groups: 0

Topological Properties
Globularity: 0.0741328	Sterimol/B1: 2.48255	Sterimol/B2: 4.06777	Sterimol/B3: 4.28564
Sterimol/B4: 6.72525	Sterimol/L: 17.9988

Surface and Volume Properties
Accessible surface: 605.018	Positive charged surface: 439.77	Negative charged surface: 165.248	Volume: 327.875
Hydrophobic surface: 496.946	Hydrophilic surface: 108.072

Pharmacophoric Properties
Hydrogen bond donors: 1	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

MMs00291760
ASINEX-ZINC03882784