MMsINC Database Search


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MMsINC code: MMs00795198

Type: Neutral
Formula: C₂₄H₂₄N₂O₂

SMILES:

O1CCN(CC1)C(=O)c1cc(nc2c1cccc2)-c1cc2CCCCc2cc1

InChI:

InChI=1/C24H24N2O2/c27-24(26-11-13-28-14-12-26)21-16-23(25-22-8-4-3-7-20(21)22)19-10-9-17-5-1-2-6-18(17)15-19/h3-4,7-10,15-16H,1-2,5-6,11-14H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=114.343 kcal/mol

Physical Properties
Molecular Weight: 372.468 g/mol	logS: -6.57646	SlogP: 4.25294	Reactive groups: 0

Topological Properties
Globularity: 0.0462437	Sterimol/B1: 3.2048	Sterimol/B2: 3.74598	Sterimol/B3: 3.88395
Sterimol/B4: 8.81491	Sterimol/L: 16.8226

Surface and Volume Properties
Accessible surface: 631.893	Positive charged surface: 432.616	Negative charged surface: 190.588	Volume: 365.625
Hydrophobic surface: 576.095	Hydrophilic surface: 55.798

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: no related molecules available.