MMsINC Database Search


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MMsINC code: MMs00906208

Type: Neutral
Formula: C₂₃H₃₂N₂O₂

SMILES:

O=C1N(CC(=O)N(C1c1ccc(cc1)C)C1CCCCC1)C1CCCCC1

InChI:

InChI=1/C23H32N2O2/c1-17-12-14-18(15-13-17)22-23(27)24(19-8-4-2-5-9-19)16-21(26)25(22)20-10-6-3-7-11-20/h12-15,19-20,22H,2-11,16H2,1H3/t22-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=121.104 kcal/mol

Physical Properties
Molecular Weight: 368.521 g/mol	logS: -5.05664	SlogP: 4.46782	Reactive groups: 0

Topological Properties
Globularity: 0.116568	Sterimol/B1: 2.06999	Sterimol/B2: 3.60548	Sterimol/B3: 4.3594
Sterimol/B4: 11.0106	Sterimol/L: 15.9337

Surface and Volume Properties
Accessible surface: 632.445	Positive charged surface: 463.352	Negative charged surface: 169.093	Volume: 380.375
Hydrophobic surface: 596.552	Hydrophilic surface: 35.893

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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: no related molecules available.