MMsINC Database Search


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MMsINC code: MMs00308898

Type: Neutral
Formula: C₂₄H₃₂N₂O₂

SMILES:

O=C(NCCc1ccccc1)CCCCCCC(=O)NCCc1ccccc1

InChI:

InChI=1/C24H32N2O2/c27-23(25-19-17-21-11-5-3-6-12-21)15-9-1-2-10-16-24(28)26-20-18-22-13-7-4-8-14-22/h3-8,11-14H,1-2,9-10,15-20H2,(H,25,27)(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.4681 kcal/mol

Physical Properties
Molecular Weight: 380.532 g/mol	logS: -4.79224	SlogP: 4.04474	Reactive groups: 0

Topological Properties
Globularity: 0.0157777	Sterimol/B1: 2.34115	Sterimol/B2: 3.61708	Sterimol/B3: 3.62064
Sterimol/B4: 4.14206	Sterimol/L: 28.2731

Surface and Volume Properties
Accessible surface: 786.055	Positive charged surface: 534.399	Negative charged surface: 251.655	Volume: 408.625
Hydrophobic surface: 689.586	Hydrophilic surface: 96.469

Pharmacophoric Properties
Hydrogen bond donors: 2	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.