MMsINC Database Search


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MMsINC code: MMs00861325

Type: Neutral
Formula: C₂₄H₂₆N₂O₂

SMILES:

O(Cc1ccc(cc1)C(=O)Nc1nc(ccc1)C)c1ccc(cc1)C(C)(C)C

InChI:

InChI=1/C24H26N2O2/c1-17-6-5-7-22(25-17)26-23(27)19-10-8-18(9-11-19)16-28-21-14-12-20(13-15-21)24(2,3)4/h5-15H,16H2,1-4H3,(H,25,26,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.13 kcal/mol

Physical Properties
Molecular Weight: 374.484 g/mol	logS: -6.55924	SlogP: 5.78522	Reactive groups: 0

Topological Properties
Globularity: 0.0259407	Sterimol/B1: 2.22079	Sterimol/B2: 3.47777	Sterimol/B3: 3.80946
Sterimol/B4: 6.23595	Sterimol/L: 22.4948

Surface and Volume Properties
Accessible surface: 704.242	Positive charged surface: 428.472	Negative charged surface: 275.77	Volume: 387.25
Hydrophobic surface: 589.813	Hydrophilic surface: 114.429

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.