MMsINC Database Search


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MMsINC code: MMs02757842

Type: Neutral
Formula: C₂₄H₂₀O

SMILES:

OC1Cc2c(CC1c1c3c(ccc1)cccc3)cc1c(c2)cccc1

InChI:

InChI=1/C24H20O/c25-24-15-20-13-18-8-2-1-7-17(18)12-19(20)14-23(24)22-11-5-9-16-6-3-4-10-21(16)22/h1-13,23-25H,14-15H2/t23-,24+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.424 kcal/mol

Physical Properties
Molecular Weight: 324.423 g/mol	logS: -6.86093	SlogP: 5.23624	Reactive groups: 0

Topological Properties
Globularity: 0.120246	Sterimol/B1: 2.27215	Sterimol/B2: 2.965	Sterimol/B3: 6.0714
Sterimol/B4: 6.5843	Sterimol/L: 17.0631

Surface and Volume Properties
Accessible surface: 578.573	Positive charged surface: 317.896	Negative charged surface: 241.039	Volume: 333.25
Hydrophobic surface: 539.172	Hydrophilic surface: 39.401

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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: 0

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Ions/Tautomers related molecules: no related molecules available.