MMsINC Database Search


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MMsINC code: MMs00747423

Type: Neutral
Formula: C₂₄H₂₅NO

SMILES:

O(CCn1c2c(c3c1cccc3)cccc2)c1ccccc1C(CC)C

InChI:

InChI=1/C24H25NO/c1-3-18(2)19-10-6-9-15-24(19)26-17-16-25-22-13-7-4-11-20(22)21-12-5-8-14-23(21)25/h4-15,18H,3,16-17H2,1-2H3/t18-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.1875 kcal/mol

Physical Properties
Molecular Weight: 343.47 g/mol	logS: -6.96632	SlogP: 6.6534	Reactive groups: 0

Topological Properties
Globularity: 0.14173	Sterimol/B1: 2.09133	Sterimol/B2: 4.5171	Sterimol/B3: 7.25769
Sterimol/B4: 7.89417	Sterimol/L: 15.4187

Surface and Volume Properties
Accessible surface: 645.18	Positive charged surface: 382.639	Negative charged surface: 251.426	Volume: 366.375
Hydrophobic surface: 602.25	Hydrophilic surface: 42.93

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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: no related molecules available.