MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs02312679

Type: Neutral
Formula: C₂₄H₂₆O₂

SMILES:

o1c2c(cc(cc2)C(C(CC)c2cc3cc(oc3cc2)C)CC)cc1C

InChI:

InChI=1/C24H26O2/c1-5-21(17-7-9-23-19(13-17)11-15(3)25-23)22(6-2)18-8-10-24-20(14-18)12-16(4)26-24/h7-14,21-22H,5-6H2,1-4H3/t21-,22-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.123 kcal/mol

Physical Properties
Molecular Weight: 346.47 g/mol	logS: -9.4545	SlogP: 7.48324	Reactive groups: 0

Topological Properties
Globularity: 0.142898	Sterimol/B1: 2.29473	Sterimol/B2: 2.39531	Sterimol/B3: 6.11207
Sterimol/B4: 8.53434	Sterimol/L: 16.8755

Surface and Volume Properties
Accessible surface: 613.065	Positive charged surface: 381.425	Negative charged surface: 222.782	Volume: 361.875
Hydrophobic surface: 551.535	Hydrophilic surface: 61.53

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.