MMsINC Database Search


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MMsINC code: MMs03240696

Type: Neutral
Formula: C₂₆H₂₅NO

SMILES:

Oc1ccc2c(cccc2)c1C(Cc1ccccc1)c1ccc(N(C)C)cc1

InChI:

InChI=1/C26H25NO/c1-27(2)22-15-12-21(13-16-22)24(18-19-8-4-3-5-9-19)26-23-11-7-6-10-20(23)14-17-25(26)28/h3-17,24,28H,18H2,1-2H3/t24-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=225.882 kcal/mol

Physical Properties
Molecular Weight: 367.492 g/mol	logS: -6.64853	SlogP: 5.98597	Reactive groups: 0

Topological Properties
Globularity: 0.0837432	Sterimol/B1: 2.49771	Sterimol/B2: 4.5391	Sterimol/B3: 4.74189
Sterimol/B4: 5.49728	Sterimol/L: 16.2213

Surface and Volume Properties
Accessible surface: 589.135	Positive charged surface: 405.665	Negative charged surface: 178.104	Volume: 376.5
Hydrophobic surface: 572.432	Hydrophilic surface: 16.703

Pharmacophoric Properties
Hydrogen bond donors: 1	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.