MMsINC Database Search


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MMsINC code: MMs00677041

Type: Neutral
Formula: C₂₆H₂₄N₂O₂

SMILES:

O(CC)c1ccc(cc1)-c1nc2c(cccc2)c(c1)C(=O)Nc1ccc(cc1C)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=133.996 kcal/mol

Physical Properties
Molecular Weight: 396.49 g/mol	logS: -7.35057	SlogP: 6.16964	Reactive groups: 0

Topological Properties
Globularity: 0.0146149	Sterimol/B1: 2.56896	Sterimol/B2: 2.60162	Sterimol/B3: 3.41825
Sterimol/B4: 11.6848	Sterimol/L: 19.0032

Surface and Volume Properties
Accessible surface: 713.649	Positive charged surface: 421.237	Negative charged surface: 280.469	Volume: 397.625
Hydrophobic surface: 639.956	Hydrophilic surface: 73.693

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.