MMsINC Database Search


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MMsINC code: MMs01618579

Type: Neutral
Formula: C₂₆H₂₆N₂O₂

SMILES:

O=C(N1CCN(CC1)C(=O)CC(c1ccccc1)c1ccccc1)c1ccccc1

InChI:

InChI=1/C26H26N2O2/c29-25(20-24(21-10-4-1-5-11-21)22-12-6-2-7-13-22)27-16-18-28(19-17-27)26(30)23-14-8-3-9-15-23/h1-15,24H,16-20H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=138.543 kcal/mol

Physical Properties
Molecular Weight: 398.506 g/mol	logS: -4.99419	SlogP: 4.1932	Reactive groups: 0

Topological Properties
Globularity: 0.106188	Sterimol/B1: 2.43211	Sterimol/B2: 4.00337	Sterimol/B3: 4.98935
Sterimol/B4: 9.07276	Sterimol/L: 16.0403

Surface and Volume Properties
Accessible surface: 686.471	Positive charged surface: 424.093	Negative charged surface: 262.378	Volume: 404.375
Hydrophobic surface: 636.331	Hydrophilic surface: 50.14

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.