MMsINC Database Search


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MMsINC code: MMs00812616

Type: Neutral
Formula: C₂₄H₃₂N₂O₂

SMILES:

O=C(Nc1ccccc1)c1ccccc1C(=O)N(CCCCC)CCCCC

InChI:

InChI=1/C24H32N2O2/c1-3-5-12-18-26(19-13-6-4-2)24(28)22-17-11-10-16-21(22)23(27)25-20-14-8-7-9-15-20/h7-11,14-17H,3-6,12-13,18-19H2,1-2H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.348 kcal/mol

Physical Properties
Molecular Weight: 380.532 g/mol	logS: -6.51385	SlogP: 5.7615	Reactive groups: 0

Topological Properties
Globularity: 0.248666	Sterimol/B1: 1.97671	Sterimol/B2: 2.32994	Sterimol/B3: 8.09521
Sterimol/B4: 11.7209	Sterimol/L: 17.2399

Surface and Volume Properties
Accessible surface: 725.583	Positive charged surface: 491.216	Negative charged surface: 234.366	Volume: 405.625
Hydrophobic surface: 640.486	Hydrophilic surface: 85.097

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.