MMsINC Database Search


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MMsINC code: MMs01913039

Type: Neutral
Formula: C₂₆H₂₂N₂O₂

SMILES:

O(c1ccc(\N=C/2\c3c4N(C\2=O)C(C=C(c4ccc3)C)(C)C)cc1)c1ccccc1

InChI:

InChI=1/C26H22N2O2/c1-17-16-26(2,3)28-24-21(17)10-7-11-22(24)23(25(28)29)27-18-12-14-20(15-13-18)30-19-8-5-4-6-9-19/h4-16H,1-3H3/b27-23+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=134.999 kcal/mol

Physical Properties
Molecular Weight: 394.474 g/mol	logS: -7.24911	SlogP: 6.1418	Reactive groups: 0

Topological Properties
Globularity: 0.0485232	Sterimol/B1: 2.31859	Sterimol/B2: 3.35179	Sterimol/B3: 4.66488
Sterimol/B4: 7.65191	Sterimol/L: 18.6676

Surface and Volume Properties
Accessible surface: 658.58	Positive charged surface: 385.366	Negative charged surface: 273.214	Volume: 389.625
Hydrophobic surface: 570.899	Hydrophilic surface: 87.681

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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: 0

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Ions/Tautomers related molecules: no related molecules available.