MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs02724651

Type: Neutral
Formula: C₂₄H₃₁NO₂

SMILES:

O(Cc1ccc(cc1)C(=O)N1CC(CCC1)C)c1ccc(cc1)C(C)(C)C

InChI:

InChI=1/C24H31NO2/c1-18-6-5-15-25(16-18)23(26)20-9-7-19(8-10-20)17-27-22-13-11-21(12-14-22)24(2,3)4/h7-14,18H,5-6,15-17H2,1-4H3/t18-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.671 kcal/mol

Physical Properties
Molecular Weight: 365.517 g/mol	logS: -6.2188	SlogP: 5.7016	Reactive groups: 0

Topological Properties
Globularity: 0.028577	Sterimol/B1: 3.4762	Sterimol/B2: 3.77592	Sterimol/B3: 3.9124
Sterimol/B4: 4.68382	Sterimol/L: 22.0181

Surface and Volume Properties
Accessible surface: 689.251	Positive charged surface: 464.488	Negative charged surface: 224.763	Volume: 390.5
Hydrophobic surface: 575.35	Hydrophilic surface: 113.901

Pharmacophoric Properties
Hydrogen bond donors: 0	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.