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MMsINC code: MMs03065253

Type: Neutral
Formula: C₂₅H₂₄N₂O

SMILES:

O(CCc1ccccc1)c1ccc(cc1)C1NCCc2c1[nH]c1c2cccc1

InChI:

InChI=1/C25H24N2O/c1-2-6-18(7-3-1)15-17-28-20-12-10-19(11-13-20)24-25-22(14-16-26-24)21-8-4-5-9-23(21)27-25/h1-13,24,26-27H,14-17H2/t24-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.1222 kcal/mol

Physical Properties
Molecular Weight: 368.48 g/mol	logS: -5.39972	SlogP: 5.11994	Reactive groups: 0

Topological Properties
Globularity: 0.101	Sterimol/B1: 2.38967	Sterimol/B2: 4.63783	Sterimol/B3: 6.10095
Sterimol/B4: 6.75034	Sterimol/L: 17.9446

Surface and Volume Properties
Accessible surface: 677.086	Positive charged surface: 419.898	Negative charged surface: 251.511	Volume: 381.375
Hydrophobic surface: 638.954	Hydrophilic surface: 38.132

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 0

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Ions/Tautomers related molecules

MMs03065254
PUBCHEM-ZINC03738292