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MMsINC code: MMs01825994

Type: Neutral
Formula: C₂₃H₂₅NO

SMILES:

Oc1ccccc1C(CCNC(C)c1ccccc1)c1ccccc1

InChI:

InChI=1/C23H25NO/c1-18(19-10-4-2-5-11-19)24-17-16-21(20-12-6-3-7-13-20)22-14-8-9-15-23(22)25/h2-15,18,21,24-25H,16-17H2,1H3/t18-,21-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.1123 kcal/mol

Physical Properties
Molecular Weight: 331.459 g/mol	logS: -4.76424	SlogP: 5.3605	Reactive groups: 0

Topological Properties
Globularity: 0.159372	Sterimol/B1: 2.12199	Sterimol/B2: 3.59917	Sterimol/B3: 6.78984
Sterimol/B4: 7.22123	Sterimol/L: 16.3338

Surface and Volume Properties
Accessible surface: 631.49	Positive charged surface: 377.954	Negative charged surface: 253.536	Volume: 353.625
Hydrophobic surface: 561.068	Hydrophilic surface: 70.422

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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

MMs01825995
IBS-ZINC02294878