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MMsINC code: MMs02180848

Type: Neutral
Formula: C₂₄H₂₅NO₂

SMILES:

O(Cc1ccccc1)c1cc2c(cc1OC)CCNC2Cc1ccccc1

InChI:

InChI=1/C24H25NO2/c1-26-23-15-20-12-13-25-22(14-18-8-4-2-5-9-18)21(20)16-24(23)27-17-19-10-6-3-7-11-19/h2-11,15-16,22,25H,12-14,17H2,1H3/t22-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=116.701 kcal/mol

Physical Properties
Molecular Weight: 359.469 g/mol	logS: -5.00728	SlogP: 5.06554	Reactive groups: 0

Topological Properties
Globularity: 0.0680853	Sterimol/B1: 1.969	Sterimol/B2: 3.51586	Sterimol/B3: 3.81497
Sterimol/B4: 10.4129	Sterimol/L: 16.9759

Surface and Volume Properties
Accessible surface: 669.065	Positive charged surface: 445.476	Negative charged surface: 223.59	Volume: 370
Hydrophobic surface: 642.533	Hydrophilic surface: 26.532

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs02180849
MDPI-ZINC03847353