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MMsINC code: MMs00887554

Type: Neutral
Formula: C₂₃H₂₅N₃O₂

SMILES:

O1CCN(CC1)CCNC(=O)c1cc(nc2c1cccc2)-c1cc(ccc1)C

InChI:

InChI=1/C23H25N3O2/c1-17-5-4-6-18(15-17)22-16-20(19-7-2-3-8-21(19)25-22)23(27)24-9-10-26-11-13-28-14-12-26/h2-8,15-16H,9-14H2,1H3,(H,24,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.859 kcal/mol

Physical Properties
Molecular Weight: 375.472 g/mol	logS: -5.17802	SlogP: 3.27222	Reactive groups: 0

Topological Properties
Globularity: 0.0167627	Sterimol/B1: 3.05673	Sterimol/B2: 3.19896	Sterimol/B3: 3.46628
Sterimol/B4: 10.1926	Sterimol/L: 18.3402

Surface and Volume Properties
Accessible surface: 678.636	Positive charged surface: 459.074	Negative charged surface: 209.392	Volume: 374.375
Hydrophobic surface: 611.53	Hydrophilic surface: 67.106

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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

MMs00887555
CHEMDIV-ZINC02752878