MMsINC Database Search


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MMsINC code: MMs03000096

Type: Neutral
Formula: C₂₀H₂₄O

SMILES:

OC(Cc1c2CCc3ccc(CCc(c1)cc2)cc3)(C)C

InChI:

InChI=1/C20H24O/c1-20(2,21)14-19-13-17-8-7-15-3-5-16(6-4-15)9-11-18(19)12-10-17/h3-6,10,12-13,21H,7-9,11,14H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=268.497 kcal/mol

Physical Properties
Molecular Weight: 280.411 g/mol	logS: -5.20889	SlogP: 3.88365	Reactive groups: 0

Topological Properties
Globularity: 0.220348	Sterimol/B1: 3.42905	Sterimol/B2: 4.0067	Sterimol/B3: 4.36565
Sterimol/B4: 5.98794	Sterimol/L: 12.4726

Surface and Volume Properties
Accessible surface: 466.272	Positive charged surface: 314.871	Negative charged surface: 151.401	Volume: 288.125
Hydrophobic surface: 404.916	Hydrophilic surface: 61.356

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

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.