MMsINC Database Search


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MMsINC code: MMs03252373

Type: Neutral
Formula: C₂₉H₂₅O+

SMILES:

[o+]1c-2c(CCc3c-2c(ccc3C)C)c(c2CCc3c(-c12)cccc3)-c1ccccc1

InChI:

InChI=1/C29H25O/c1-18-12-13-19(2)26-22(18)16-17-25-27(21-9-4-3-5-10-21)24-15-14-20-8-6-7-11-23(20)28(24)30-29(25)26/h3-13H,14-17H2,1-2H3/q+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=139.317 kcal/mol

Physical Properties
Molecular Weight: 389.518 g/mol	logS: -10.4871	SlogP: 7.37562	Reactive groups: 0

Topological Properties
Globularity: 0.0621022	Sterimol/B1: 3.06728	Sterimol/B2: 3.60778	Sterimol/B3: 7.12625
Sterimol/B4: 7.68078	Sterimol/L: 15.2002

Surface and Volume Properties
Accessible surface: 639.995	Positive charged surface: 385.507	Negative charged surface: 245.243	Volume: 398.375
Hydrophobic surface: 627.106	Hydrophilic surface: 12.889

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	Acid groups: 0	Basic groups: 1
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: 0

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Ions/Tautomers related molecules: no related molecules available.