MMsINC Database Search


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MMsINC code: MMs00990282

Type: Neutral
Formula: C₂₄H₂₂N₂O

SMILES:

O(C)c1cc(ccc1)-c1[nH]c(-c2cc(ccc2C)C)c(n1)-c1ccccc1

InChI:

InChI=1/C24H22N2O/c1-16-12-13-17(2)21(14-16)23-22(18-8-5-4-6-9-18)25-24(26-23)19-10-7-11-20(15-19)27-3/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)=96.337 kcal/mol

Physical Properties
Molecular Weight: 354.453 g/mol	logS: -8.46334	SlogP: 6.03614	Reactive groups: 0

Topological Properties
Globularity: 0.0833462	Sterimol/B1: 2.13392	Sterimol/B2: 2.29931	Sterimol/B3: 6.04095
Sterimol/B4: 10.1515	Sterimol/L: 16.7818

Surface and Volume Properties
Accessible surface: 646.067	Positive charged surface: 416.21	Negative charged surface: 229.857	Volume: 365.375
Hydrophobic surface: 617.483	Hydrophilic surface: 28.584

Pharmacophoric Properties
Hydrogen bond donors: 2	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.