MMsINC Database Search


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MMsINC code: MMs00674436

Type: Neutral
Formula: C₂₄H₂₂N₂O₂

SMILES:

O(C)c1ccc(OC)cc1-c1[nH]c(c(n1)-c1ccccc1)-c1ccc(cc1)C

InChI:

InChI=1/C24H22N2O2/c1-16-9-11-18(12-10-16)23-22(17-7-5-4-6-8-17)25-24(26-23)20-15-19(27-2)13-14-21(20)28-3/h4-15H,1-3H3,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.722 kcal/mol

Physical Properties
Molecular Weight: 370.452 g/mol	logS: -8.0398	SlogP: 5.73632	Reactive groups: 0

Topological Properties
Globularity: 0.0268428	Sterimol/B1: 2.30969	Sterimol/B2: 2.85578	Sterimol/B3: 3.14087
Sterimol/B4: 9.76536	Sterimol/L: 16.8416

Surface and Volume Properties
Accessible surface: 653.598	Positive charged surface: 450.284	Negative charged surface: 203.313	Volume: 373.625
Hydrophobic surface: 624.267	Hydrophilic surface: 29.331

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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.