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MMsINC code: MMs03186629

Type: Neutral
Formula: C₂₃H₂₈N₂O₃

SMILES:

O(C)c1ccccc1CNC(=O)CN1CCC(CC1)C(=O)c1ccc(cc1)C

InChI:

InChI=1/C23H28N2O3/c1-17-7-9-18(10-8-17)23(27)19-11-13-25(14-12-19)16-22(26)24-15-20-5-3-4-6-21(20)28-2/h3-10,19H,11-16H2,1-2H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.2019 kcal/mol

Physical Properties
Molecular Weight: 380.488 g/mol	logS: -4.36131	SlogP: 3.48112	Reactive groups: 0

Topological Properties
Globularity: 0.0281282	Sterimol/B1: 3.17561	Sterimol/B2: 3.24809	Sterimol/B3: 3.82305
Sterimol/B4: 6.57807	Sterimol/L: 21.4402

Surface and Volume Properties
Accessible surface: 707.006	Positive charged surface: 493.574	Negative charged surface: 213.432	Volume: 384
Hydrophobic surface: 631.049	Hydrophilic surface: 75.957

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

MMs03186630
PUBCHEM-ZINC04966892