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MMsINC code: MMs00953162

Type: Neutral
Formula: C₂₅H₂₆N₂O₃

SMILES:

O(c1cc(ccc1)CN1CCN(CC1)C(=O)c1cc(OC)ccc1)c1ccccc1

InChI:

InChI=1/C25H26N2O3/c1-29-23-11-6-8-21(18-23)25(28)27-15-13-26(14-16-27)19-20-7-5-12-24(17-20)30-22-9-3-2-4-10-22/h2-12,17-18H,13-16,19H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=151.778 kcal/mol

Physical Properties
Molecular Weight: 402.494 g/mol	logS: -5.07274	SlogP: 4.7119	Reactive groups: 0

Topological Properties
Globularity: 0.0344515	Sterimol/B1: 2.61121	Sterimol/B2: 3.1057	Sterimol/B3: 4.6367
Sterimol/B4: 6.34539	Sterimol/L: 21.7461

Surface and Volume Properties
Accessible surface: 705.53	Positive charged surface: 477.585	Negative charged surface: 227.945	Volume: 400.5
Hydrophobic surface: 655.053	Hydrophilic surface: 50.477

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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

MMs00953163
CHEMDIV-ZINC04777365