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MMsINC code: MMs01431307

Type: Neutral
Formula: C₂₄H₂₆N₂O₂

SMILES:

O(Cc1ccccc1)c1cc(ccc1)C(=O)NCC(N(C)C)c1ccccc1

InChI:

InChI=1/C24H26N2O2/c1-26(2)23(20-12-7-4-8-13-20)17-25-24(27)21-14-9-15-22(16-21)28-18-19-10-5-3-6-11-19/h3-16,23H,17-18H2,1-2H3,(H,25,27)/t23-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=134.72 kcal/mol

Physical Properties
Molecular Weight: 374.484 g/mol	logS: -5.01508	SlogP: 4.6602	Reactive groups: 0

Topological Properties
Globularity: 0.0508823	Sterimol/B1: 2.3793	Sterimol/B2: 4.29758	Sterimol/B3: 4.68413
Sterimol/B4: 5.86681	Sterimol/L: 21.529

Surface and Volume Properties
Accessible surface: 693.222	Positive charged surface: 425.212	Negative charged surface: 268.01	Volume: 382.625
Hydrophobic surface: 646.576	Hydrophilic surface: 46.646

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs01431308
ENAMINE-ZINC03419924