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MMsINC code: MMs00351664

Type: Neutral
Formula: C₂₃H₂₇N₃O₂

SMILES:

O=C(N1CCC(CC1)C(=O)N)c1ccc(cc1)CN1CCc2c(C1)cccc2

InChI:

InChI=1/C23H27N3O2/c24-22(27)19-10-13-26(14-11-19)23(28)20-7-5-17(6-8-20)15-25-12-9-18-3-1-2-4-21(18)16-25/h1-8,19H,9-16H2,(H2,24,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.0395 kcal/mol

Physical Properties
Molecular Weight: 377.488 g/mol	logS: -3.83566	SlogP: 3.11517	Reactive groups: 0

Topological Properties
Globularity: 0.0589976	Sterimol/B1: 2.42362	Sterimol/B2: 3.26187	Sterimol/B3: 3.9363
Sterimol/B4: 8.59913	Sterimol/L: 16.6459

Surface and Volume Properties
Accessible surface: 659.415	Positive charged surface: 450.759	Negative charged surface: 208.656	Volume: 377.625
Hydrophobic surface: 518.694	Hydrophilic surface: 140.721

Pharmacophoric Properties
Hydrogen bond donors: 1	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

MMs00351665
ASINEX-ZINC04552696