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MMsINC code: MMs00559307

Type: Neutral
Formula: C₂₃H₃₀N₂O₂

SMILES:

Oc1ccc(cc1)CC1(NC(=O)CN(Cc2ccccc2)C)CCCCC1

InChI:

InChI=1/C23H30N2O2/c1-25(17-20-8-4-2-5-9-20)18-22(27)24-23(14-6-3-7-15-23)16-19-10-12-21(26)13-11-19/h2,4-5,8-13,26H,3,6-7,14-18H2,1H3,(H,24,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.98 kcal/mol

Physical Properties
Molecular Weight: 366.505 g/mol	logS: -4.36746	SlogP: 4.15217	Reactive groups: 0

Topological Properties
Globularity: 0.0833102	Sterimol/B1: 3.55114	Sterimol/B2: 3.86603	Sterimol/B3: 4.02903
Sterimol/B4: 8.92491	Sterimol/L: 16.1925

Surface and Volume Properties
Accessible surface: 641.488	Positive charged surface: 441.196	Negative charged surface: 200.292	Volume: 382.5
Hydrophobic surface: 568.018	Hydrophilic surface: 73.47

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs00559308
CHEMBLOCK-ZINC04580804