MMsINC Database Search


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MMsINC code: MMs02796218

Type: Neutral
Formula: C₂₄H₂₄N₂O₂

SMILES:

O(C)c1ccccc1C(Nc1cc(OC)ccc1)c1c2c([nH]c1C)cccc2

InChI:

InChI=1/C24H24N2O2/c1-16-23(19-11-4-6-13-21(19)25-16)24(20-12-5-7-14-22(20)28-3)26-17-9-8-10-18(15-17)27-2/h4-15,24-26H,1-3H3/t24-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=115.298 kcal/mol

Physical Properties
Molecular Weight: 372.468 g/mol	logS: -5.42119	SlogP: 5.79052	Reactive groups: 0

Topological Properties
Globularity: 0.257682	Sterimol/B1: 2.37604	Sterimol/B2: 5.3521	Sterimol/B3: 7.07548
Sterimol/B4: 8.43739	Sterimol/L: 15.4021

Surface and Volume Properties
Accessible surface: 639.273	Positive charged surface: 424.521	Negative charged surface: 211.316	Volume: 377.375
Hydrophobic surface: 595.919	Hydrophilic surface: 43.354

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.