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MMsINC code: MMs02302973

Type: Neutral
Formula: C₂₃H₂₅NO

SMILES:

O(CCN(Cc1ccccc1)Cc1ccccc1)c1cc(ccc1)C

InChI:

InChI=1/C23H25NO/c1-20-9-8-14-23(17-20)25-16-15-24(18-21-10-4-2-5-11-21)19-22-12-6-3-7-13-22/h2-14,17H,15-16,18-19H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=131.143 kcal/mol

Physical Properties
Molecular Weight: 331.459 g/mol	logS: -5.34287	SlogP: 5.60902	Reactive groups: 0

Topological Properties
Globularity: 0.167213	Sterimol/B1: 2.34798	Sterimol/B2: 5.64067	Sterimol/B3: 6.56409
Sterimol/B4: 6.97965	Sterimol/L: 15.24

Surface and Volume Properties
Accessible surface: 615.206	Positive charged surface: 376.999	Negative charged surface: 238.207	Volume: 353.75
Hydrophobic surface: 597.093	Hydrophilic surface: 18.113

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

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Ions/Tautomers related molecules

MMs02302974
NCID-ZINC01666851