MMsINC Database Search


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MMsINC code: MMs01797321

Type: Neutral
Formula: C₁₉H₂₄O₂

SMILES:

O(C)c1cc2CCC3C4CCC(=O)C4(CCC3c2cc1)C

InChI:

InChI=1/C19H24O2/c1-19-10-9-15-14-6-4-13(21-2)11-12(14)3-5-16(15)17(19)7-8-18(19)20/h4,6,11,15-17H,3,5,7-10H2,1-2H3/t15-,16-,17-,19+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.9226 kcal/mol

Physical Properties
Molecular Weight: 284.399 g/mol	logS: -4.52491	SlogP: 4.12037	Reactive groups: 0

Topological Properties
Globularity: 0.10779	Sterimol/B1: 1.97513	Sterimol/B2: 3.19071	Sterimol/B3: 5.71194
Sterimol/B4: 5.81402	Sterimol/L: 15.7339

Surface and Volume Properties
Accessible surface: 502.957	Positive charged surface: 360.965	Negative charged surface: 141.992	Volume: 291.625
Hydrophobic surface: 435.754	Hydrophilic surface: 67.203

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 4

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.