MMsINC Database Search


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MMsINC code: MMs02208900

Type: Neutral
Formula: C₂₆H₂₅NO

SMILES:

o1cccc1-c1ncc(cc1)-c1ccc(cc1)-c1ccc(cc1)CCCCC

InChI:

InChI=1/C26H25NO/c1-2-3-4-6-20-8-10-21(11-9-20)22-12-14-23(15-13-22)24-16-17-25(27-19-24)26-7-5-18-28-26/h5,7-19H,2-4,6H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.076 kcal/mol

Physical Properties
Molecular Weight: 367.492 g/mol	logS: -9.47693	SlogP: 7.40827	Reactive groups: 0

Topological Properties
Globularity: 0.0168795	Sterimol/B1: 2.46635	Sterimol/B2: 3.58253	Sterimol/B3: 3.8062
Sterimol/B4: 4.47539	Sterimol/L: 24.9153

Surface and Volume Properties
Accessible surface: 702.01	Positive charged surface: 398.874	Negative charged surface: 282.421	Volume: 389.75
Hydrophobic surface: 657.361	Hydrophilic surface: 44.649

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