MMsINC Database Search


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MMsINC code: MMs00887384

Type: Neutral
Formula: C₂₆H₂₂N₂O₃

SMILES:

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

InChI:

InChI=1/C26H22N2O3/c1-3-17-8-10-18(11-9-17)24-16-22(21-6-4-5-7-23(21)28-24)25(29)27-20-14-12-19(13-15-20)26(30)31-2/h4-16H,3H2,1-2H3,(H,27,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=131.618 kcal/mol

Physical Properties
Molecular Weight: 410.473 g/mol	logS: -7.70946	SlogP: 5.50307	Reactive groups: 0

Topological Properties
Globularity: 0.0173236	Sterimol/B1: 2.03969	Sterimol/B2: 2.22079	Sterimol/B3: 4.12487
Sterimol/B4: 11.3141	Sterimol/L: 20.8769

Surface and Volume Properties
Accessible surface: 715.96	Positive charged surface: 428.445	Negative charged surface: 276.7	Volume: 401.375
Hydrophobic surface: 606.128	Hydrophilic surface: 109.832

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.