MMsINC Database Search


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MMsINC code: MMs02450059

Type: Neutral
Formula: C₂₇H₁₈O

SMILES:

O1c2c(cc3c(c2)cccc3)C(c2c3c(ccc12)cccc3)c1ccccc1

InChI:

InChI=1/C27H18O/c1-2-9-19(10-3-1)26-23-16-20-11-4-5-12-21(20)17-25(23)28-24-15-14-18-8-6-7-13-22(18)27(24)26/h1-17,26H/t26-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=114.281 kcal/mol

Physical Properties
Molecular Weight: 358.44 g/mol	logS: -9.13498	SlogP: 7.2789	Reactive groups: 0

Topological Properties
Globularity: 0.157306	Sterimol/B1: 2.48227	Sterimol/B2: 3.15991	Sterimol/B3: 5.75923
Sterimol/B4: 8.89294	Sterimol/L: 16.3248

Surface and Volume Properties
Accessible surface: 598.309	Positive charged surface: 306.986	Negative charged surface: 271.125	Volume: 358.5
Hydrophobic surface: 597.471	Hydrophilic surface: 0.83799999999997

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