MMsINC Database Search


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MMsINC code: MMs02413396

Type: Neutral
Formula: C₂₄H₂₅NO₂

SMILES:

O1C(OC)(CN(CC1c1ccccc1)Cc1ccccc1)c1ccccc1

InChI:

InChI=1/C24H25NO2/c1-26-24(22-15-9-4-10-16-22)19-25(17-20-11-5-2-6-12-20)18-23(27-24)21-13-7-3-8-14-21/h2-16,23H,17-19H2,1H3/t23-,24-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=138.914 kcal/mol

Physical Properties
Molecular Weight: 359.469 g/mol	logS: -5.28221	SlogP: 5.4329	Reactive groups: 0

Topological Properties
Globularity: 0.331581	Sterimol/B1: 3.04033	Sterimol/B2: 4.58121	Sterimol/B3: 6.19697
Sterimol/B4: 9.14278	Sterimol/L: 13.4975

Surface and Volume Properties
Accessible surface: 630.611	Positive charged surface: 403.01	Negative charged surface: 227.6	Volume: 370.125
Hydrophobic surface: 615.799	Hydrophilic surface: 14.812

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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: no related molecules available.