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MMsINC code: MMs02403371

Type: Neutral
Formula: C₂₃H₂₈N₂O₂

SMILES:

O=C1c2c(cccc2NC(CCCN(CC)CC)C)C(=O)c2c1cccc2

InChI:

InChI=1/C23H28N2O2/c1-4-25(5-2)15-9-10-16(3)24-20-14-8-13-19-21(20)23(27)18-12-7-6-11-17(18)22(19)26/h6-8,11-14,16,24H,4-5,9-10,15H2,1-3H3/t16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.5352 kcal/mol

Physical Properties
Molecular Weight: 364.489 g/mol	logS: -4.96452	SlogP: 4.3844	Reactive groups: 0

Topological Properties
Globularity: 0.14681	Sterimol/B1: 2.35211	Sterimol/B2: 5.14538	Sterimol/B3: 6.87987
Sterimol/B4: 7.15361	Sterimol/L: 14.8529

Surface and Volume Properties
Accessible surface: 661.636	Positive charged surface: 440.845	Negative charged surface: 220.791	Volume: 374.75
Hydrophobic surface: 535.033	Hydrophilic surface: 126.603

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs02403372
NCID-ZINC04773561