MMsINC Database Search


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MMsINC code: MMs02718169

Type: Neutral
Formula: C₂₄H₂₆N₂O

SMILES:

O=C(Nc1c(cccc1C)CC)N(Cc1ccccc1)Cc1ccccc1

InChI:

InChI=1/C24H26N2O/c1-3-22-16-10-11-19(2)23(22)25-24(27)26(17-20-12-6-4-7-13-20)18-21-14-8-5-9-15-21/h4-16H,3,17-18H2,1-2H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.7953 kcal/mol

Physical Properties
Molecular Weight: 358.485 g/mol	logS: -5.69416	SlogP: 6.32449	Reactive groups: 0

Topological Properties
Globularity: 0.16113	Sterimol/B1: 2.2576	Sterimol/B2: 2.91172	Sterimol/B3: 4.76796
Sterimol/B4: 11.1909	Sterimol/L: 14.4349

Surface and Volume Properties
Accessible surface: 606.213	Positive charged surface: 368.204	Negative charged surface: 238.008	Volume: 379.375
Hydrophobic surface: 568.151	Hydrophilic surface: 38.062

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.