MMsINC Database Search


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MMsINC code: MMs02750960

Type: Neutral
Formula: C₂₆H₂₂N₂O₂

SMILES:

O=C(Nc1ccc(cc1)C(=O)Nc1c2c(ccc1)cccc2)c1cc(C)c(cc1)C

InChI:

InChI=1/C26H22N2O2/c1-17-10-11-21(16-18(17)2)26(30)27-22-14-12-20(13-15-22)25(29)28-24-9-5-7-19-6-3-4-8-23(19)24/h3-16H,1-2H3,(H,27,30)(H,28,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=140.658 kcal/mol

Physical Properties
Molecular Weight: 394.474 g/mol	logS: -8.15058	SlogP: 5.96124	Reactive groups: 0

Topological Properties
Globularity: 0.00641355	Sterimol/B1: 2.24306	Sterimol/B2: 3.3083	Sterimol/B3: 5.03222
Sterimol/B4: 5.38718	Sterimol/L: 21.6202

Surface and Volume Properties
Accessible surface: 692.915	Positive charged surface: 369.85	Negative charged surface: 312.243	Volume: 389.625
Hydrophobic surface: 624.808	Hydrophilic surface: 68.107

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 1

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Ions/Tautomers related molecules: no related molecules available.