MMsINC Database Search


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MMsINC code: MMs01165161

Type: Neutral
Formula: C₂₆H₃₂N₂O₂

SMILES:

O(C)c1cc(ccc1)Cn1cccc1CN(C(=O)c1ccc(cc1)C)CCCCC

InChI:

InChI=1/C26H32N2O2/c1-4-5-6-16-28(26(29)23-14-12-21(2)13-15-23)20-24-10-8-17-27(24)19-22-9-7-11-25(18-22)30-3/h7-15,17-18H,4-6,16,19-20H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.1942 kcal/mol

Physical Properties
Molecular Weight: 404.554 g/mol	logS: -5.53469	SlogP: 6.21882	Reactive groups: 0

Topological Properties
Globularity: 0.110853	Sterimol/B1: 2.50527	Sterimol/B2: 3.65216	Sterimol/B3: 5.19276
Sterimol/B4: 10.5491	Sterimol/L: 17.8563

Surface and Volume Properties
Accessible surface: 740.145	Positive charged surface: 487.121	Negative charged surface: 253.024	Volume: 429.875
Hydrophobic surface: 657.64	Hydrophilic surface: 82.505

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.