MMsINC Database Search


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MMsINC code: MMs00662777

Type: Neutral
Formula: C₂₄H₃₀N₂O₂

SMILES:

O=C(N1CC(N(CC1C)C(=O)c1cc(C)c(cc1)C)C)c1cc(C)c(cc1)C

InChI:

InChI=1/C24H30N2O2/c1-15-7-9-21(11-17(15)3)23(27)25-13-20(6)26(14-19(25)5)24(28)22-10-8-16(2)18(4)12-22/h7-12,19-20H,13-14H2,1-6H3/t19-,20-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=181.321 kcal/mol

Physical Properties
Molecular Weight: 378.516 g/mol	logS: -5.95844	SlogP: 4.29548	Reactive groups: 0

Topological Properties
Globularity: 0.061356	Sterimol/B1: 3.4237	Sterimol/B2: 3.58201	Sterimol/B3: 4.75964
Sterimol/B4: 5.26129	Sterimol/L: 19.0484

Surface and Volume Properties
Accessible surface: 659.439	Positive charged surface: 411.188	Negative charged surface: 248.25	Volume: 391.125
Hydrophobic surface: 576.125	Hydrophilic surface: 83.314

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

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: no related molecules available.