MMsINC Database Search


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MMsINC code: MMs03130624

Type: Neutral
Formula: C₃₀H₂₄O

SMILES:

O(C(c1c2c(ccc1)cccc2)(c1ccc(cc1)-c1ccccc1)c1ccccc1)C

InChI:

InChI=1/C30H24O/c1-31-30(26-15-6-3-7-16-26,29-18-10-14-25-13-8-9-17-28(25)29)27-21-19-24(20-22-27)23-11-4-2-5-12-23/h2-22H,1H3/t30-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=193.994 kcal/mol

Physical Properties
Molecular Weight: 400.521 g/mol	logS: -9.34114	SlogP: 7.7566	Reactive groups: 0

Topological Properties
Globularity: 0.152741	Sterimol/B1: 2.53412	Sterimol/B2: 5.02455	Sterimol/B3: 6.84016
Sterimol/B4: 7.62044	Sterimol/L: 18.3943

Surface and Volume Properties
Accessible surface: 658.995	Positive charged surface: 369.212	Negative charged surface: 275.906	Volume: 410
Hydrophobic surface: 658.31	Hydrophilic surface: 0.68500000000006

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: 0

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Ions/Tautomers related molecules: no related molecules available.