MMsINC Database Search


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MMsINC code: MMs03280763

Type: Neutral
Formula: C₂₆H₂₄N₂O₂

SMILES:

O(CC)c1ccc(NC(=O)c2cc(nc3c2cccc3)-c2ccc(cc2)CC)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=126.321 kcal/mol

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

Topological Properties
Globularity: 0.017581	Sterimol/B1: 2.02056	Sterimol/B2: 2.21023	Sterimol/B3: 4.28753
Sterimol/B4: 11.2571	Sterimol/L: 20.9073

Surface and Volume Properties
Accessible surface: 715.778	Positive charged surface: 428.398	Negative charged surface: 276.023	Volume: 399.125
Hydrophobic surface: 615.266	Hydrophilic surface: 100.512

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.