MMsINC Database Search


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MMsINC code: MMs03477589

Type: Neutral
Formula: C₂₆H₂₄N₂O₂

SMILES:

O(CC)c1ccccc1NC(=O)c1cc(nc2c1cccc2)-c1ccc(cc1)CC

InChI:

InChI=1/C26H24N2O2/c1-3-18-13-15-19(16-14-18)24-17-21(20-9-5-6-10-22(20)27-24)26(29)28-23-11-7-8-12-25(23)30-4-2/h5-17H,3-4H2,1-2H3,(H,28,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=129.091 kcal/mol

Physical Properties
Molecular Weight: 396.49 g/mol	logS: -7.70532	SlogP: 6.11517	Reactive groups: 0

Topological Properties
Globularity: 0.0381128	Sterimol/B1: 3.12448	Sterimol/B2: 3.77243	Sterimol/B3: 4.24304
Sterimol/B4: 11.2476	Sterimol/L: 17.606

Surface and Volume Properties
Accessible surface: 712.174	Positive charged surface: 423.644	Negative charged surface: 277.885	Volume: 399.5
Hydrophobic surface: 618.292	Hydrophilic surface: 93.882

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.