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MMsINC code: MMs02687511

Type: Neutral
Formula: C₂₁H₂₄N₂O₂

SMILES:

O1CCN(CC1)CCNC(=O)\C(=C\c1ccccc1)\c1ccccc1

InChI:

InChI=1/C21H24N2O2/c24-21(22-11-12-23-13-15-25-16-14-23)20(19-9-5-2-6-10-19)17-18-7-3-1-4-8-18/h1-10,17H,11-16H2,(H,22,24)/b20-17+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.685 kcal/mol

Physical Properties
Molecular Weight: 336.435 g/mol	logS: -4.00369	SlogP: 2.6756	Reactive groups: 0

Topological Properties
Globularity: 0.0474926	Sterimol/B1: 2.88454	Sterimol/B2: 4.08282	Sterimol/B3: 4.51873
Sterimol/B4: 6.16187	Sterimol/L: 18.158

Surface and Volume Properties
Accessible surface: 626.467	Positive charged surface: 445.706	Negative charged surface: 180.761	Volume: 344.5
Hydrophobic surface: 575.003	Hydrophilic surface: 51.464

Pharmacophoric Properties
Hydrogen bond donors: 1	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

MMs02687512
PUBCHEM-ZINC00465076