MMsINC Database Search


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MMsINC code: MMs00921205

Type: Neutral
Formula: C₂₄H₂₀N₂O₂

SMILES:

Oc1cc(ccc1)\C=C\C1=Nc2c(cccc2)C(=O)N1c1cc(C)c(cc1)C

InChI:

InChI=1/C24H20N2O2/c1-16-10-12-19(14-17(16)2)26-23(13-11-18-6-5-7-20(27)15-18)25-22-9-4-3-8-21(22)24(26)28/h3-15,27H,1-2H3/b13-11+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.105 kcal/mol

Physical Properties
Molecular Weight: 368.436 g/mol	logS: -6.76893	SlogP: 5.41284	Reactive groups: 0

Topological Properties
Globularity: 0.0885237	Sterimol/B1: 2.16318	Sterimol/B2: 3.48611	Sterimol/B3: 4.87361
Sterimol/B4: 11.9274	Sterimol/L: 16.0577

Surface and Volume Properties
Accessible surface: 647.933	Positive charged surface: 367.926	Negative charged surface: 280.007	Volume: 364.125
Hydrophobic surface: 555.892	Hydrophilic surface: 92.041

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.