MMsINC Database Search


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MMsINC code: MMs02369374

Type: Neutral
Formula: C₂₄H₂₄O

SMILES:

OC(C(C=C)c1ccccc1)(Cc1ccccc1)Cc1ccccc1

InChI:

InChI=1/C24H24O/c1-2-23(22-16-10-5-11-17-22)24(25,18-20-12-6-3-7-13-20)19-21-14-8-4-9-15-21/h2-17,23,25H,1,18-19H2/t23-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=148.443 kcal/mol

Physical Properties
Molecular Weight: 328.455 g/mol	logS: -5.56035	SlogP: 5.17264	Reactive groups: 0

Topological Properties
Globularity: 0.355198	Sterimol/B1: 2.47215	Sterimol/B2: 5.66124	Sterimol/B3: 7.1781
Sterimol/B4: 7.84107	Sterimol/L: 13.2141

Surface and Volume Properties
Accessible surface: 584.986	Positive charged surface: 318.673	Negative charged surface: 266.312	Volume: 352.625
Hydrophobic surface: 534.012	Hydrophilic surface: 50.974

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

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.