MMsINC Database Search


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MMsINC code: MMs01725260

Type: Neutral
Formula: C₂₃H₂₄O₄

SMILES:

O(C(=O)C)c1ccc(cc1)C(c1ccc(OC(=O)C)cc1)=C1CCCCC1

InChI:

InChI=1/C23H24O4/c1-16(24)26-21-12-8-19(9-13-21)23(18-6-4-3-5-7-18)20-10-14-22(15-11-20)27-17(2)25/h8-15H,3-7H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.862 kcal/mol

Physical Properties
Molecular Weight: 364.441 g/mol	logS: -6.75707	SlogP: 5.12049	Reactive groups: 0

Topological Properties
Globularity: 0.0899409	Sterimol/B1: 2.47428	Sterimol/B2: 3.38108	Sterimol/B3: 3.81653
Sterimol/B4: 11.2138	Sterimol/L: 16.6925

Surface and Volume Properties
Accessible surface: 654.857	Positive charged surface: 416.26	Negative charged surface: 238.596	Volume: 363.5
Hydrophobic surface: 569.085	Hydrophilic surface: 85.772

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.