MMsINC Database Search


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MMsINC code: MMs02366107

Type: Neutral
Formula: C₁₉H₂₈O

SMILES:

O=C(CC)c1cc2c(cc1CC)C(CCC2(C)C)(C)C

InChI:

InChI=1/C19H28O/c1-7-13-11-15-16(12-14(13)17(20)8-2)19(5,6)10-9-18(15,3)4/h11-12H,7-10H2,1-6H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.5505 kcal/mol

Physical Properties
Molecular Weight: 272.432 g/mol	logS: -6.82518	SlogP: 5.19067	Reactive groups: 0

Topological Properties
Globularity: 0.129337	Sterimol/B1: 2.30875	Sterimol/B2: 2.82837	Sterimol/B3: 4.51077
Sterimol/B4: 8.20917	Sterimol/L: 12.995

Surface and Volume Properties
Accessible surface: 523.73	Positive charged surface: 365.332	Negative charged surface: 158.399	Volume: 302.875
Hydrophobic surface: 395.322	Hydrophilic surface: 128.408

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.